SCHEMBL8525318

SCHEMBL8525318

O=c1[nH]c(-c2ccccn2)nnc1-c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HTT P42858 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HIF1A Q16665 1/20 0.46
BTK Q06187 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CBFB Q13951 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TNKS O95271 1/20 0.43
GUSB P08236 1/20 0.43
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
KRAS P01116 2/20 0.42
KMT2A Q03164 2/20 0.41

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) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL8524777 0.88 NPC1 (0.68) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11131683 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11140374 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11135466 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11135408 0.86 RAB9A (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11137248 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL8524931 0.86 NPC1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL8041610 0.83 HTT (0.50) NPC1RAB9AHTTL3MBTL1ALDH1A1
SCHEMBL11132251 0.83 L3MBTL1 (0.53) NPC1RAB9AHTTL3MBTL1ALDH1A1

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 4 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
EP-0030038-A1 1,2,4-Triazine derivatives, process for their production and pharmaceutical composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-10 EP disclosed