SCHEMBL5044349

SCHEMBL5044349

CC(O)c1nc2[nH]ccc2s1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.36
CDK8 P49336 1/20 0.35
JAK1 P23458 6/20 0.32
JAK2 O60674 3/20 0.30
HPGD P15428 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 0.30

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
SCHEMBL5035864 0.71
SCHEMBL5046237 0.71
SCHEMBL5039713 0.67
SCHEMBL30861732 0.67
SCHEMBL485998 0.67 HPGD (0.64) HPGD
SCHEMBL17947424 0.67 HPGD (0.64) HPGD
SCHEMBL5036206 0.67 HDAC6 (0.40) TRPV1CDK8
SCHEMBL5039898 0.67 KDR (0.36)
SCHEMBL5039915 0.63 TTBK1 (0.35) HPGD
SCHEMBL17947421 0.62 DYRK1A (0.50) TRPV1

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed