SCHEMBL18230427

SCHEMBL18230427

O=C(Nc1nc(-c2ccccn2)c(C(F)(F)F)s1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.54
▸ ADORA2A P29274 2/20 0.54
▸ TLR7 Q9NYK1 2/20 0.53
▸ ADORA3 P0DMS8 8/20 0.50
▸ TRPV1 Q8NER1 3/20 0.48
▸ GRM1 Q13255 1/20 0.47
▸ MTOR P42345 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 0.46
▸ MPL P40238 1/20 0.45
▸ SCN9A Q15858 1/20 0.45

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
SCHEMBL18230522 0.91 PCSK9 (0.50) ADORA1ADORA2ATLR7ADORA3KDM4A
SCHEMBL18230402 0.91 ADORA1 (0.55) ADORA1ADORA2AADORA3TRPV1GRM1
SCHEMBL18230261 0.91 ADORA3 (0.62) ADORA1ADORA2AADORA3TRPV4
SCHEMBL18230382 0.90 TRPV1 (0.53) ADORA1ADORA2ATLR7ADORA3TRPV1
SCHEMBL18230519 0.89 ADORA1 (0.65) ADORA1ADORA2ATLR7ADORA3TRPV1
SCHEMBL18230521 0.89 TRPV1 (0.59) ADORA1ADORA2ATLR7ADORA3TRPV1
SCHEMBL18230398 0.86 TRPV1 (0.56) ADORA1ADORA2AADORA3TRPV1GRM1
SCHEMBL18230409 0.86 ADORA2A (0.50) ADORA1ADORA2ATLR7ADORA3TRPV1
SCHEMBL18230257 0.85 ADORA1 (0.57) ADORA1ADORA2ATLR7ADORA3TRPV1
SCHEMBL18230329 0.84 ADORA1 (0.56) ADORA1ADORA2ATLR7ADORA3TRPV1

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