SCHEMBL3725263

SCHEMBL3725263

CCNc1ccc(Oc2ccc3cc(CC)ccc3n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
BLM P54132 1/20 0.36
CXCR4 P61073 1/20 0.35
PDE4B Q07343 1/20 0.35
TEC P42680 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDR P35968 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3720909 0.90 RAB9A (0.39) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3721863 0.88 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL3717824 0.86 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3717019 0.85 CYP1A2 (0.43) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3720524 0.85 SMN1; SMN2 (0.39) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3722368 0.83 HTT (0.52) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3716766 0.83 SMN1; SMN2 (0.43) MAPTRAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL3726852 0.82 P2RX3 (0.43) MAPTL3MBTL1POLBATMBLM
SCHEMBL3724569 0.82 MTNR1A (0.55) MAPTSMN1; SMN2BLMALDH1A1MEN1
SCHEMBL3722417 0.81 MEN1 (0.38) MAPTRAB9ASMN1; SMN2NPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed