SCHEMBL31348979

SCHEMBL31348979

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.34
KCNK3 O14649 4/20 0.33
KCNK9 Q9NPC2 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
DHODH Q02127 2/20 0.31
F2R P25116 1/20 0.31
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL20846713 0.91 KCNK3 (0.35) BRAFKCNK3KCNK9RXFP1F2R
SCHEMBL29161184 0.90 BRAF (0.32) BRAF
SCHEMBL29161232 0.89 KCNQ3 (0.32) BRAF
SCHEMBL31348918 0.88 KDM4E (0.31) RXFP1
SCHEMBL31348965 0.88 HDAC8 (0.32) KCNK3KCNK9RXFP1
SCHEMBL20846797 0.87 KCNK3 (0.36) BRAFKCNK3KCNK9RXFP1F2R
SCHEMBL31348940 0.86 HTT (0.36) DHODHSCN8ASCN10A
SCHEMBL31348944 0.86 KDM4E (0.30)
SCHEMBL29161234 0.86 BRAF (0.33) BRAFKCNK3KCNK9RXFP1SCN10A
SCHEMBL20846704 0.85 RXFP1 (0.40) BRAFKCNK3KCNK9RXFP1

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