SCHEMBL31348975

SCHEMBL31348975

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 3/20 0.32
XBP1 P17861 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
CLK1 P49759 1/20 0.31
LMNA P02545 1/20 0.30
PTGES O14684 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 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
SCHEMBL31348965 0.96 HDAC8 (0.32) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL31348873 0.94 KCNK3 (0.39) SMN1; SMN2HDAC8MAPTRXFP1KCNJ11
SCHEMBL31348958 0.91 RXFP1 (0.39) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL29427435 0.90 HDAC8 (0.35) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL1766772 0.90 HDAC8 (0.35) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL31348935 0.89 CA12 (0.33) HDAC8MAPTKDM4ERXFP1KCNJ11
SCHEMBL29161194 0.89 PTGES (0.33) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL31253330 0.89 PTGES (0.33) SMN1; SMN2HDAC8MAPTXBP1NPSR1
SCHEMBL29161191 0.88 P2RX7 (0.33) SMN1; SMN2HDAC8PTGES
SCHEMBL29161193 0.88 KCNQ3 (0.37) SMN1; SMN2HDAC8KMT2AMEN1PTGES

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