SCHEMBL31348955

SCHEMBL31348955

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
NR1H4 Q96RI1 2/20 0.33
PPARA Q07869 1/20 0.33
TMPRSS4 Q9NRS4 4/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 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
SCHEMBL31348935 0.93 CA12 (0.33) RXFP1KDM4ECA12CA9KCNJ11
SCHEMBL31348968 0.93 KDM4E (0.35) RXFP1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL20846803 0.91 RXFP1 (0.38) RXFP1CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL29161223 0.89 KCNQ3 (0.37) RXFP1CYP1A2CYP2D6CYP2C19KDR
SCHEMBL31348985 0.89 RXFP1 (0.41) RXFP1NR1H4TMPRSS4ABCC9ABCC8
SCHEMBL29161175 0.87 PTGES (0.33) KDRPTGES
SCHEMBL31253336 0.87 PTGES (0.33) KDRPTGES
SCHEMBL29161189 0.86 KCNQ3 (0.36) KDRGAAPTGES
SCHEMBL29161198 0.84 PTGES (0.32) KDRPTGES
SCHEMBL1766510 0.83 RXFP1 (0.35) RXFP1KDM4ECA12CA9PTGES

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