SCHEMBL4384181

SCHEMBL4384181

Cc1nc2cc(NC(=O)c3ccc(-c4cccc(F)c4F)nc3C)ccc2s1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.69
RAB9A P51151 10/20 0.52
NPC1 O15118 8/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 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
SCHEMBL4386354 0.85 TRPV1 (0.76) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4425260 0.82 TRPV1 (0.47) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4384186 0.82 TRPV1 (0.81) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL29386356 0.82 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4388633 0.82 TRPV1 (1.00) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5800197 0.77 TRPV1 (0.59) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5800495 0.76 TRPV1 (0.60) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL4468094 0.76 TRPV1 (0.62) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5801648 0.76 TRPV1 (0.57) TRPV1RAB9ANPC1CASP3SENP7
SCHEMBL5934584 0.75 TRPV1 (0.58) TRPV1RAB9ANPC1CASP3SENP7

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