SCHEMBL31348977

SCHEMBL31348977

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN8A Q9UQD0 2/20 0.32
SCN10A Q9Y5Y9 2/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL31348989 0.96 HTT (0.38) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL20846705 0.92 HTT (0.36) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL29161222 0.90
SCHEMBL29161183 0.89 KCNQ3 (0.31) SMN1; SMN2
SCHEMBL22402103 0.87 HTT (0.38) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL31348940 0.86 HTT (0.36) HTTSMN1; SMN2SCN8ASCN10AALDH1A1
SCHEMBL20846706 0.86 HTT (0.48) HTTSMN1; SMN2SCN8ASCN10ARXFP1
SCHEMBL31348918 0.86 KDM4E (0.31) RXFP1
SCHEMBL29161206 0.86 HTT (0.30) HTTSMN1; SMN2
SCHEMBL29161218 0.85 KCNQ3 (0.32) SMN1; 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 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 claimed