SCHEMBL18230351

SCHEMBL18230351

O=C(Nc1nc(-c2ccc(C3=CCNCC3)cn2)c(C(F)(F)F)s1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 1/20 0.44
▸ ALOX5AP P20292 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ MCHR1 Q99705 2/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ MPL P40238 1/20 0.39
▸ HTR2C P28335 2/20 0.38
▸ KCNH2 Q12809 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ WNT3A P56704 1/20 0.36

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 0.81 MPL (0.49) STAT3MCHR1TRPV1MPL
SCHEMBL18230481 0.78 STAT3 (0.47) STAT3MCHR1TRPV1
SCHEMBL18230521 0.73 TRPV1 (0.59) STAT3TRPV1
SCHEMBL26606541 0.73 SCD (0.65) —
SCHEMBL30576758 0.73 SCD (0.65) —
SCHEMBL18230388 0.73 LRRK2 (0.61) STAT3BTK
SCHEMBL18230428 0.71 MAPT (0.46) STAT3TRPV1WNT3A
SCHEMBL18230368 0.71 TRPV4 (0.46) STAT3TRPV1
SCHEMBL18094493 0.70 MCHR1 (0.41) STAT3MCHR1TRPV1MPLBTK
SCHEMBL1472528 0.69 HTR2C (0.69) P2RY14ALOX5APFEN1HTR2C

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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