SCHEMBL18230474

SCHEMBL18230474

O=C(Nc1nc(-c2ccccn2)c(-n2ccnc2)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 4/20 0.52
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ TRPV4 Q9HBA0 1/20 0.46
▸ CD38 P28907 1/20 0.46
▸ MEN1 O00255 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GRM1 Q13255 1/20 0.43
▸ ADORA3 P0DMS8 4/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ KDM4B O94953 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ F12 P00748 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL18230473 0.84 TRPV1 (0.50) TRPV1ADORA2AADORA1TRPV4MEN1
SCHEMBL18230521 0.82 TRPV1 (0.59) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230379 0.82 ADORA2A (0.71) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230280 0.81 TRPV1 (0.58) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230400 0.80 TRPV4 (0.56) TRPV1ADORA2AADORA1TRPV4MEN1
SCHEMBL18230420 0.80 TRPV4 (0.70) TRPV1ADORA2AADORA1TRPV4MEN1
SCHEMBL18230421 0.80 ADORA1 (0.62) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230278 0.80 TRPV1 (0.57) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230245 0.80 TRPV1 (0.57) TRPV1ADORA2AADORA1MEN1MAPT
SCHEMBL18230523 0.80 TRPV1 (0.57) TRPV1ADORA2AADORA1MEN1MAPT

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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