SCHEMBL31348873

SCHEMBL31348873

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1C(F)(F)F)c1cccc(N(O)C(=O)c2ccccc2)c1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 6/20 0.34
PTGES O14684 1/20 0.34
EPHX1 P07099 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KAT6A Q92794 1/20 0.33
KCNJ11 Q14654 2/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL31348975 0.94 SMN1; SMN2 (0.33) KCNK3KCNK9MAPTMEN1LMNA
SCHEMBL29427851 0.90 MEN1 (0.39) KCNK3KCNK9MAPTMEN1LMNA
SCHEMBL1766891 0.90 MEN1 (0.39) KCNK3KCNK9MAPTMEN1LMNA
SCHEMBL29361693 0.90 MEN1 (0.39) KCNK3KCNK9MAPTMEN1LMNA
SCHEMBL29733643 0.90 MEN1 (0.39) KCNK3KCNK9MAPTMEN1LMNA
SCHEMBL31253247 0.90 RXFP1 (0.39) MEN1KMT2ARXFP1PTGESKCNJ11
SCHEMBL29161209 0.90 RXFP1 (0.39) MEN1KMT2ARXFP1PTGESKCNJ11
SCHEMBL31348958 0.90 RXFP1 (0.39) MAPTSMN1; SMN2RXFP1HDAC8KAT6A
SCHEMBL31348965 0.90 HDAC8 (0.32) KCNK3KCNK9MAPTMEN1KMT2A
SCHEMBL31253330 0.88 PTGES (0.33) MAPTSMN1; SMN2RXFP1PTGESHDAC8

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