SCHEMBL6584014

SCHEMBL6584014

CCOC(=O)c1ccc(N2CCN(c3ccccc3)CC2)nc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.75
NPC1 O15118 1/20 0.75
RAB9A P51151 1/20 0.75
MEN1 O00255 2/20 0.73
P2RY12 Q9H244 1/20 0.71
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
OGA O60502 1/20 0.55
HRH3 Q9Y5N1 1/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SGPL1 O95470 1/20 0.52
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
METAP1 P53582 1/20 0.50
PIK3CA P42336 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL2428493 0.86 P2RY12 (0.72) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL9210857 0.86 P2RY12 (0.65) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL9211056 0.86 KMT2A (1.00) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL2820792 0.85 P2RY12 (0.64) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL9212828 0.85 P2RY12 (0.64) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL5089275 0.85 PIK3CA (0.67) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL7529775 0.85 P2RY12 (0.64) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL7469230 0.84 P2RY12 (0.63) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL2488088 0.83 LMNA (0.54) KMT2ANPC1RAB9AMEN1P2RY12
SCHEMBL6374746 0.82 KDM4E (0.71) KMT2ANPC1RAB9AMEN1P2RY12

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-1177178-B1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF ABBOTT GMBH & CO KG (DE) 2004-12-29 EP disclosed
US-6696437-B1 Heterocyclically substituted benzimidazoles, the production and application thereof ABBOTT GMBH & CO. KG (DE) 2004-02-24 US disclosed
EP-1177178-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-02-06 EP disclosed
WO-2000068206-A1 HETEROCYCLICALLY SUBSTITUTED BENZIMIDAZOLES, THE PRODUCTION AND APPLICATION THEREOF BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed