SCHEMBL17339846

SCHEMBL17339846

Cc1nc2nnc3nc(C)sc3c2s1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
USP2 O75604 1/20 0.31
ALOX15 P16050 1/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
GAA P10253 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL19626329 0.78 KDR (0.36)
SCHEMBL12292761 0.69
SCHEMBL17339855 0.67 HSD17B10 (0.35) HSD17B10NPC1RAB9AALDH1A1TP53
SCHEMBL1193927 0.66 KDR (0.32) NPC1RAB9A
SCHEMBL13675199 0.66 CHRM4 (0.39) HSD17B10NPC1RAB9AALDH1A1TP53
SCHEMBL12292766 0.66 ALOX5 (0.33)
SCHEMBL17339880 0.65 HSD17B10 (0.34) HSD17B10NPC1RAB9AALDH1A1TP53
SCHEMBL12261691 0.63 TLR8 (0.34) TLR8TLR7
SCHEMBL12282395 0.63 TLR8 (0.34) TLR8TLR7
SCHEMBL19267555 0.63 HSD17B10 (0.39) HSD17B10NPC1RAB9AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9214634-B2 Organic photovoltaic cell, organic semiconductor polymer and composition for organic semiconductor material used therefor FUJIFILM CORPORATION (JP) 2015-12-15 US disclosed