SCHEMBL6608984

SCHEMBL6608984

COc1nc2ccccc2cc1C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
GALR3 O60755 1/20 0.58
NR2F2 P24468 1/20 0.58
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 4/20 0.55
TACR3 P29371 2/20 0.53
POLB P06746 1/20 0.53
HPGDS O60760 1/20 0.52
KMT2A Q03164 3/20 0.51
ESR1 P03372 1/20 0.51
MAPK10 P53779 1/20 0.51
NPC1 O15118 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 2/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL11218527 0.84 MAPT (0.47) HTTSMN1; SMN2GALR3NR2F2HPGD
SCHEMBL15945346 0.84 SMN1; SMN2 (0.50) HTTSMN1; SMN2MAPT
SCHEMBL15563826 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTPOLBKMT2AMEN1
SCHEMBL15945345 0.80 MAPT (0.55) SMN1; SMN2TP53HPGDMAPTPOLB
SCHEMBL12630115 0.80 GALR3 (0.85) HTTSMN1; SMN2GALR3NR2F2TP53
SCHEMBL15563505 0.80 MAPT (0.50) SMN1; SMN2MAPTPOLBKMT2ANPC1
SCHEMBL6605124 0.79 SMN1; SMN2 (0.48) HTTSMN1; SMN2HPGDGLAMAPT
SCHEMBL31423348 0.79 KDM4E (0.56) SMN1; SMN2HPGDMAPTPOLBKMT2A
SCHEMBL3715949 0.79 KDM4E (0.56) SMN1; SMN2HPGDMAPTPOLBKMT2A
SCHEMBL15563981 0.78 PPARD (0.46) HTTSMN1; SMN2GALR3NR2F2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed