SCHEMBL459808

SCHEMBL459808

c1ccc(-c2nc3cc(-c4ccc5[nH]cnc5c4)ccc3[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
GAA P10253 2/20 0.54
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 4/20 0.47
TP53 P04637 4/20 0.47
HSD17B10 Q99714 4/20 0.47
GFER P55789 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
FTO Q9C0B1 1/20 0.47
MAPK14 Q16539 1/20 0.46

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
SCHEMBL14669372 0.96 NPC1 (0.49) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL25905404 0.92 NPC1 (0.55) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2686936 0.88 NPC1 (0.54) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL14665660 0.88 NPC1 (0.44) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL1459333 0.87 NPC1 (0.56) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL417622 0.87 MAPT (0.55) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL2569383 0.87 NPC1 (0.56) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL30822560 0.87 NPC1 (0.56) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL18806843 0.86 MEN1 (0.52) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL22649095 0.86 NPC1 (0.67) NPC1RAB9AGAAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885870-A1 Carbonylation process BP Chemicals Limited (GB) 1998-12-23 EP claimed
WO-2012102923-A2 POROUS POLYBENZIMIDAZOLE RESIN AND METHOD OF MAKING SAME PBI PERFOMANCE PRODUCTS, INC. (US) 2012-08-02 WO disclosed
WO-2011163158-A2 PBI/EPOXY COATINGS PBI PERFORMANCE PRODUCTS, INC. (US) 2011-12-29 WO disclosed
WO-2011137131-A1 POLYBENZIMIDAZOLE-BASED MEMBRANES FOR THE DEHYDRATION OF ORGANIC LIQUIDS VIA PERVAPORATION PBI PERFORMANCE PRODUCTS, INC. (US) 2011-11-03 WO disclosed
EP-0057492-A2 Process for the surface modification of carbon fibres BASF Aktiengesellschaft (DE) 1982-08-11 EP disclosed