SCHEMBL5505525

SCHEMBL5505525

CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GAA P10253 2/20 0.61
HPGD P15428 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HTT P42858 1/20 0.61
ACHE P22303 4/20 0.61
CACNB4 O00305 2/20 0.61
CACNA1A O00555 2/20 0.61
CACNA1G O43497 2/20 0.61
CACNG3 O60359 2/20 0.61
CACNA1F O60840 2/20 0.61
CACNA1H O95180 2/20 0.61
CACNB3 P54284 2/20 0.61
CACNA2D1 P54289 2/20 0.61

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
SCHEMBL4055917 0.84 KMT2A (0.56) KMT2A
SCHEMBL18287218 0.82 KMT2A (0.63) KMT2A
SCHEMBL137420 0.81 KDM4E (0.61) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL136259 0.80 KDM4E (0.60) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL620485 0.80 GABRP (0.66) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL135158 0.80 KDM4E (0.60) MAPTLMNASMN1; SMN2KDM4EALDH1A1
SCHEMBL4057593 0.80 KMT2A (0.53) KMT2A
SCHEMBL4061107 0.80 KMT2A (0.53) KMT2A
SCHEMBL99056 0.79
SCHEMBL15976546 0.78 ALDH1A1 (1.00) MAPTLMNASMN1; SMN2KDM4EALDH1A1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP claimed
EP-1390740-A4 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR ENDACEA INC (US) 2007-04-04 EP disclosed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 EP disclosed
US-20040121406-A1 Methods and formulations for increasing the affinity of a1 adenosine receptor ligands for the a1 adenosine receptor ENDACEA, INC. 2004-06-24 US disclosed
EP-1390740-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A 1? ADENOSINE RECEPTOR LIGANDS FOR THE A 1? ADENOSINE RECEPTOR Endacea, Inc. (US) 2004-02-25 EP disclosed
WO-2002095391-A1 METHODS AND FORMULATIONS FOR INCREASING THE AFFINITY OF A1 ADENOSINE RECEPTOR LIGANDS FOR THE A1 ADENOSINE RECEPTOR ENDACEA INC. (US) 2002-11-28 WO disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 EP disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 WO disclosed