SCHEMBL18230294

SCHEMBL18230294

CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccn3)c(C#N)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.54
▸ ADORA2A P29274 3/20 0.53
▸ ADORA1 P30542 2/20 0.53
▸ ADORA3 P0DMS8 7/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ KDM4A O75164 1/20 0.46
▸ KDM4B O94953 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.45
▸ HTT P42858 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GRM1 Q13255 1/20 0.44
▸ MAP3K5 Q99683 1/20 0.44

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
SCHEMBL18230233 0.92 ADORA2A (0.48) TRPV1ADORA2AADORA1ADORA3MEN1
SCHEMBL18230404 0.91 ADORA2A (0.47) TRPV1ADORA2AADORA1ADORA3MEN1
SCHEMBL18230296 0.90 TRPV1 (0.54) TRPV1ADORA2AADORA1ADORA3MEN1
SCHEMBL18230411 0.87 ADORA3 (0.61) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL18230409 0.85 ADORA2A (0.50) TRPV1ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL18230448 0.84 ADORA2A (0.54) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL18230321 0.84 ADORA2A (0.48) TRPV1ADORA2AADORA1ADORA3ALDH1A1
SCHEMBL18230398 0.83 TRPV1 (0.56) TRPV1ADORA2AADORA1ADORA3MEN1
SCHEMBL18230513 0.83 TLR7 (0.49) TRPV1ADORA2AADORA1KDM4EMAPT
SCHEMBL18230317 0.82 ADORA2A (0.48) TRPV1ADORA2AADORA1ADORA3MEN1

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
WO-2016183173-A1 ANTIPARASITIC COMPOUNDS Avista Pharma Solutions (US) 2016-11-17 — — WO disclosed
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