SCHEMBL14038883

SCHEMBL14038883

CCc1c(/C=C/c2nc3ccccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)cccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 3/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.33
FFAR2 O15552 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HDAC4 P56524 2/20 0.31
MEF2D Q14814 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL13287382 0.90 RAB9A (0.37) GPR139RAB9ANPC1TP53SMN1; SMN2
SCHEMBL13287465 0.86 RAB9A (0.33) GPR139RAB9ANPC1TP53SMN1; SMN2
SCHEMBL13287388 0.80 MAPK1 (0.37) RAB9ANPC1TP53SMN1; SMN2GAA
SCHEMBL13292033 0.78 FFAR2 (0.30) FFAR2
SCHEMBL2827321 0.78 MPL (0.33) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL13287443 0.77 MPL (0.31) GAAFFAR2MEN1KMT2A
SCHEMBL13287357 0.77 FFAR2 (0.30) FFAR2
SCHEMBL2827653 0.77 MPL (0.32) SMN1; SMN2FFAR2
SCHEMBL2827672 0.77 NPC1 (0.32) RAB9ANPC1GAAALDH1A1HPGD
SCHEMBL2827674 0.77 NPC1 (0.32) RAB9ANPC1GAAALDH1A1HPGD

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-8318928-B2 Fused imidazole carboxamides as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-11-27 US disclosed