SCHEMBL31348965

SCHEMBL31348965

O=C(Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1C(F)(F)F)c1cccc(N(O)C(=O)c2ccc(F)cc2)c1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.31
XBP1 P17861 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RXFP1 Q9HBX9 2/20 0.31
KCNJ11 Q14654 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL31348975 0.96 SMN1; SMN2 (0.33) HDAC8SMN1; SMN2MAPTXBP1NPSR1
SCHEMBL31348946 0.92
SCHEMBL20846939 0.91 GPBAR1 (0.33) HDAC8SMN1; SMN2MAPTXBP1NPSR1
SCHEMBL31348918 0.90 KDM4E (0.31) KDM4ERXFP1MEN1KMT2A
SCHEMBL31348873 0.90 KCNK3 (0.39) HDAC8SMN1; SMN2MAPTRXFP1KCNJ11
SCHEMBL29161199 0.90 PTGES (0.32) HDAC8
SCHEMBL31348944 0.88 KDM4E (0.30) KDM4E
SCHEMBL29161214 0.88 KCNQ3 (0.36) SMN1; SMN2KMT2A
SCHEMBL31348979 0.88 BRAF (0.34) RXFP1KCNK3KCNK9
SCHEMBL31348958 0.87 RXFP1 (0.39) HDAC8SMN1; SMN2MAPTXBP1NPSR1

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