SCHEMBL8524931

SCHEMBL8524931

Nc1ccc(-c2nnc(-c3ccccn3)[nH]c2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HTT P42858 5/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HIF1A Q16665 1/20 0.46
BTK Q06187 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
METAP2 P50579 1/20 0.44
POLB P06746 1/20 0.44
TNKS O95271 1/20 0.43

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
SCHEMBL8525087 0.89 NPC1 (0.64) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL8524777 0.88 NPC1 (0.68) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11131683 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL8525318 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11140374 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11135408 0.86 RAB9A (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11137248 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11135466 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL11138078 0.83 NPC1 (0.52) NPC1RAB9AHTTL3MBTL1LMNA
SCHEMBL8041610 0.83 HTT (0.50) NPC1RAB9AHTTL3MBTL1LMNA

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
WO-1999007352-A2 METHOD FOR PROMOTING EXPRESSION OF LDL RECEPTOR GENE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-02-18 WO claimed
EP-0030038-B1 1,2,4-TRIAZINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP disclosed
US-4343801-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-08-10 US disclosed