SCHEMBL31348940

SCHEMBL31348940

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1OC(F)F)c1cccc(N(O)C(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SCN8A Q9UQD0 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
DHODH Q02127 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL22402095 0.91 HTT (0.36) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL31348989 0.90 HTT (0.38) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL29161170 0.90 ABCB11 (0.30)
SCHEMBL18354530 0.89 HTT (0.34) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL29161168 0.89 P2RX7 (0.31) SCN8ASCN10A
SCHEMBL29161213 0.89 ABCB11 (0.33) SMN1; SMN2KMT2A
SCHEMBL31348953 0.88 HTT (0.33) HTTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19695906 0.88 SCN8A (0.35) HTTSMN1; SMN2SCN8ASCN10AMEN1
SCHEMBL20846715 0.87 HTT (0.34) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL29265441 0.87 KDM4E (0.32) HTTSMN1; SMN2MEN1KMT2ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059936-A Meta-aminobenzoic acid bisamide compound 湖南化工研究院有限公司 2024-12-03 CN disclosed