SCHEMBL6057243

SCHEMBL6057243

S=C=Nc1ccccc1C=Cc1ccccc1N=C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ABCB11 O95342 1/20 0.50
NR3C1 P04150 1/20 0.50
CYP1A2 P05177 1/20 0.50
ADRA2A P08913 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA2C P18825 1/20 0.50
MAOA P21397 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR2B P41595 1/20 0.50
CCR2 P41597 1/20 0.50
MIF P14174 2/20 0.44
POLB P06746 1/20 0.42
APLNR P35414 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6057240 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL18528944 0.90 NFE2L2 (0.46) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL3209348 0.90 NFE2L2 (0.46) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL28619294 0.85 CDK4 (0.47) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL7185453 0.83 LMNA (0.48) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL11698273 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL207554 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL29374052 0.80 ALDH1A1 (0.62) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL6057068 0.78 MEN1 (0.46) ALDH1A1HPGDHSD17B10TDP1CYP1A2
SCHEMBL31168163 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4HPGDTDP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248763-B1 AROMATIC DI-KETO DERIVATIVES AS GLUCOSE-6-PHOSPHATE TRANSLOCASE INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-06-25 EP disclosed
EP-1090136-B1 MUMBAISTATIN, A PROCESS FOR ITS PRODUCTION AND ITS USE AS A PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-31 EP disclosed
EP-0672660-B1 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations SANOFI AVENTIS DEUTSCHLAND (DE) 2005-11-09 EP disclosed
EP-1113808-A4 A METHOD OF TREATMENT AND AGENTS USEFUL FOR SAME UNIV MELBOURNE (AU) 2004-06-16 EP disclosed
EP-0973760-B1 KODAISTATINS A, B, C AND D, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AVENTIS PHARMA GMBH (DE) 2002-11-13 EP disclosed
EP-1248763-A2 AROMATIC DI-KETO DERIVATIVES AS GLUCOSE-6-PHOSPHATE TRANSLOCASE INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2002-10-16 EP disclosed
US-6380257-B1 USED AS GLUCOSE-6-PHOSPHATE TRANSLOCASE INHIBITORS AND CAN BE USED IN THERAPY OF DIABETES MELLITUS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-30 US disclosed
US-6297043-B1 MOLECULAR FORMULA OF C28 H20 O12; CULTURE PRODUCT FROM STREPTOMYCES WHICH INHIBITS GLUCOSE-6-PHOSPHATE TRANSLOCASE; ANTIDIABETIC AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-10-02 US disclosed
EP-1113808-A1 A METHOD OF TREATMENT AND AGENTS USEFUL FOR SAME THE UNIVERSITY OF MELBOURNE (AU) 2001-07-11 EP disclosed
WO-2001030736-A2 AROMATIC DI-KETO DERIVATIVES AS GLUCOSE-6-PHOSPHATE TRANSLOCASE INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-03 WO disclosed
US-5719170-A GLUCOSE-6-PHOSPHATASE INHIBITOR; ANTIDIABETIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
US-5629311-A ANTIDIABETIC AGENTS; TREATMENT OF DISEASES CHARACTERIZED BY ELEVATED GLUCOSE SECRETION OR ELEVATION OFGLUCOSE PHOSPHATASE SYSTEM HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
US-5567725-A ANTIDIABETIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-22 US disclosed
EP-0587088-B1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AG (DE) 1996-05-08 EP disclosed
US-5463062-A Inhibitors of glucose-6-phosphatase system HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0672660-A2 Substituted cyclohexanol-esters, their use to treat illnesses and pharmaceutical preparations HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP disclosed
US-5451573-A Substituted cyclohexane derivatives for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-19 US disclosed
EP-0671392-A1 Substituted propane derivatives, process for their preparation and use of the compounds for the treatment of illnesses HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-13 EP disclosed
EP-0587087-A1 Substituted cyclohexane derivatives for the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 EP disclosed
EP-0587088-A1 Derivatives of substituted cyclohexane, their process of preparation and their application with the treatment of diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-16 EP disclosed