SCHEMBL8081682

SCHEMBL8081682

CCCc1cc(-c2ccc(Cl)cc2)nc(CC)c1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ADORA3 P0DMS8 4/20 0.43
CTRC Q99895 1/20 0.43
PLA2G2A P14555 1/20 0.41
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ALPL P05186 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL831416 0.86 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL830689 0.81 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL831311 0.79 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL830293 0.75 ADORA3 (0.41) MAPTSMN1; SMN2RAB9AADORA3ALDH1A1
SCHEMBL19895143 0.75 SMN1; SMN2 (0.68) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL831048 0.72 FABP3 (0.46) MAPTSMN1; SMN2ADORA3CTRCALDH1A1
SCHEMBL839964 0.71 FABP3 (0.49) SMN1; SMN2NPC1RAB9AADORA3CTRC
SCHEMBL8024870 0.70 GCGR (0.44) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL831113 0.70 FABP3 (0.48) SMN1; SMN2NPC1RAB9AADORA3CTRC
SCHEMBL8032664 0.70 CNR2 (0.42) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009033561-A1 SUBSTITUTED 6-PHEYLNICOTINIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed