SCHEMBL4938

SCHEMBL4938

[C]1=CC=CC2C1=Nc1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.32
NOS3 P29474 3/20 0.32
NOS2 P35228 3/20 0.32

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
SCHEMBL8173271 0.73 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL27520554 0.71 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL1670886 0.67 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL29383163 0.67 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL11764398 0.64 ALDH1A1 (0.33)
SCHEMBL432707 0.63 KDM1A (0.34)
SCHEMBL2332914 0.62 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL7465174 0.57 NOS1 (0.32) NOS1NOS3NOS2
SCHEMBL22384865 0.56 NOS1 (0.33) NOS1NOS3NOS2
SCHEMBL1386147 0.55

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

Appears in 9478 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2692777-B1 PHARMACEUTICAL COMPOSITION CONTAINING BLOCK COPOLYMER COMPRISING BORONIC ACID COMPOUND NANOCARRIER CO LTD (JP) 2018-10-31 EP claimed
EP-3089978-B1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS PURDUE PHARMA LP (US) 2018-08-29 EP claimed
EP-3077380-B1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2018-07-25 EP claimed
US-9688645-B2 Macrocyclic urea and sulfamide derivatives as inhibitors of TAFIa SANOFI (FR) 2017-06-27 US claimed
EP-2945950-B1 ISOMANNIDE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI SA (FR) 2017-03-01 EP claimed
US-9540391-B2 Isomannide derivatives as inhibitors of soluble epoxide hydrolase SANOFI (FR) 2017-01-10 US claimed
US-20160326146-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE SANOFI (FR) 2016-11-10 US claimed
EP-3089978-A1 PYRIDONE-SULFONE MORPHINAN ANALOGS AS OPIOID RECEPTOR LIGANDS Purdue Pharma LP (US) 2016-11-09 EP claimed
EP-3077380-A1 THIENOMETHYLPIPERAZINE DERIVATIVES AS INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE Sanofi (FR) 2016-10-12 EP claimed
US-20160251324-A1 MACROCYCLIC UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIA SANOFI-AVENTIS (FR) 2016-09-01 US claimed
EP-0759917-B1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES INC (US) 2000-04-12 EP claimed
US-6020362-A ANTICOAGULANTS ELI LILLY AND COMPANY (US) 2000-02-01 US claimed
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP claimed
US-5731324-A Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1998-03-24 US claimed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP claimed
WO-1997027179-A2 ANTIRETROVIRAL BASES NOVARTIS AG (CH) 1997-07-31 WO claimed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP claimed
WO-1996022288-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-07-25 WO claimed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO claimed
EP-0635492-A1 Glycoprotein IIb/IIIa antagonists ELI LILLY AND COMPANY (US) 1995-01-25 EP claimed