SCHEMBL7182969

SCHEMBL7182969

c1ccc2c(c1)Cc1ccc(Cc3ccc4c(c3)-c3ccccc3C4)cc1-2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 2/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP17A1 P05093 1/20 0.46
SRD5A2 P31213 1/20 0.46
MAOA P21397 2/20 0.45
PDE10A Q9Y233 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 2/20 0.43
GPR84 Q9NQS5 1/20 0.42

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
SCHEMBL3982676 0.94 ALDH1A1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL598903 0.92 TSHR (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7190397 0.88 GPR84 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3974006 0.86 TSHR (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3453563 0.84 NPC1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3453089 0.84 ALDH1A1 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL20491470 0.84 NPC1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5536062 0.84 RAB9A (0.48) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL5016641 0.82 SMN1; SMN2 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30912172 0.82 SMN1; SMN2 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034190-B1 POLYMERIZATION CATALYST FOR OLEFIN MONOMERS LG CHEMICAL LTD (KR) 2003-08-27 EP disclosed
EP-1034190-A1 POLYMERIZATION CATALYST FOR OLEFIN MONOMERS LG CHEMICAL LIMITED (KR) 2000-09-13 EP disclosed
WO-1999026985-A1 POLYMERIZATION CATALYST FOR OLEFIN MONOMERS LG CHEMICAL LTD. (KR) 1999-06-03 WO disclosed