SCHEMBL9842888

SCHEMBL9842888

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnoc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.60
ABL1 P00519 11/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
EPHX2 P34913 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
OPRM1 P35372 1/20 0.53
KCNH2 Q12809 1/20 0.53
LMNA P02545 1/20 0.51

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
SCHEMBL11427050 0.83 TRPV1 (0.56) TRPV1HTTSMN1; SMN2EPHX2NPC1
SCHEMBL9843014 0.82 NPC1 (0.60) TRPV1HTTSMN1; SMN2EPHX2NPC1
SCHEMBL9843089 0.82 RAB9A (0.64) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9842892 0.80 HDAC6 (0.44) TRPV1ABL1OPRM1KCNH2
SCHEMBL8597230 0.80 NPC1 (0.56) MEN1KMT2ANPC1RAB9A
SCHEMBL2914329 0.79 TRPV1 (0.74) TRPV1ABL1MEN1KMT2AHTT
SCHEMBL9842954 0.78 NQO2 (0.54) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL29458444 0.78 TRPV1 (0.63) TRPV1ABL1MEN1KMT2AHTT
SCHEMBL11435148 0.77 TRPV1 (0.56) TRPV1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL6709253 0.77 KIF11 (0.50) TRPV1ABL1MEN1KMT2A

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
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP claimed
EP-0440503-A1 4-Isoxazolecarboxamide derivatives SYNTEX (U.S.A.) INC. (US) 1991-08-07 EP disclosed