SCHEMBL18230481

SCHEMBL18230481

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.46
▸ DEGS1 O15121 1/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ KCNQ3 O43525 1/20 0.41
▸ KCNQ2 O43526 1/20 0.41
▸ KCNE1 P15382 1/20 0.41
▸ KCNQ1 P51787 1/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39

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
SCHEMBL18230378 0.84 MPL (0.49) STAT3TRPV1MCHR1
SCHEMBL18230521 0.82 TRPV1 (0.59) STAT3TRPV1NPC1RAB9AMEN1
SCHEMBL18094534 0.81 LMNA (0.55) STAT3TRPV1DEGS1PTGS1KCNQ3
SCHEMBL18236300 0.81 GRM1 (0.53) MEN1KMT2AMAPTLMNAHTT
SCHEMBL18230388 0.79 LRRK2 (0.61) STAT3MAPTSMN1; SMN2LMNA
SCHEMBL18230428 0.78 MAPT (0.46) STAT3TRPV1NPC1RAB9AMAPT
SCHEMBL18230351 0.78 P2RY14 (0.44) STAT3TRPV1MCHR1
SCHEMBL18230368 0.77 TRPV4 (0.46) STAT3TRPV1MAPTSMN1; SMN2
SCHEMBL18230311 0.77 STAT3 (0.47) STAT3TRPV1DEGS1PTGS1KCNQ3
SCHEMBL18230382 0.77 TRPV1 (0.53) TRPV1MEN1KMT2AMAPTSMN1; SMN2

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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