SCHEMBL4389994

SCHEMBL4389994

Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2scnc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.74
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
HSD11B1 P28845 1/20 0.48
AURKA O14965 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 1/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
MCL1 Q07820 2/20 0.42

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
SCHEMBL29386356 0.85 TRPV1 (1.00) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4388633 0.85 TRPV1 (1.00) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL5128895 0.82 TRPV1 (0.78) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4426949 0.81 TRPV1 (0.70) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4425329 0.80 TRPV1 (0.67) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4460351 0.80 TRPV1 (0.66) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4388630 0.78 TRPV1 (0.66) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4386399 0.78 TRPV1 (0.63) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4384830 0.77 TRPV1 (0.62) TRPV1RAB9ANPC1SMN1; SMN2CASP3
SCHEMBL4384186 0.76 TRPV1 (0.81) TRPV1RAB9ANPC1SMN1; SMN2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP claimed
EP-1606289-B1 CARBOXAMIDE DERIVATIVES GLAXO GROUP LTD (GB) 2009-12-02 EP disclosed