SCHEMBL18230378

SCHEMBL18230378

O=C(Nc1nc(-c2ccc(-c3ccncc3)cn2)c(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.49
▸ TRPV1 Q8NER1 8/20 0.46
▸ STAT3 P40763 1/20 0.45
▸ NTRK1 P04629 1/20 0.45
▸ HDAC4 P56524 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MCHR1 Q99705 2/20 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
SCHEMBL18230481 0.84 STAT3 (0.47) TRPV1STAT3MCHR1
SCHEMBL18230521 0.81 TRPV1 (0.59) TRPV1STAT3
SCHEMBL18230351 0.81 P2RY14 (0.44) MPLTRPV1STAT3MCHR1
SCHEMBL18230421 0.78 ADORA1 (0.62) MPLTRPV1
SCHEMBL18230388 0.77 LRRK2 (0.61) STAT3
SCHEMBL18230382 0.76 TRPV1 (0.53) TRPV1
SCHEMBL18230372 0.76 TRPV1 (0.55) TRPV1
SCHEMBL18230428 0.75 MAPT (0.46) TRPV1STAT3
SCHEMBL18230368 0.75 TRPV4 (0.46) TRPV1STAT3
SCHEMBL18230311 0.74 STAT3 (0.47) TRPV1STAT3HDAC4HDAC6MCHR1

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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