SCHEMBL31348968

SCHEMBL31348968

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(F)c(Cl)c2)c1F

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
RXFP1 Q9HBX9 3/20 0.33
KMT2A Q03164 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PTGES O14684 6/20 0.32
FADS1 O60427 1/20 0.32
P2RX1 P51575 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
IL2 P60568 1/20 0.31

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
SCHEMBL31348955 0.93 RXFP1 (0.38) KDM4ETRPV1RXFP1PTGESP2RX1
SCHEMBL31348935 0.89 CA12 (0.33) KDM4ERXFP1KMT2APTGES
SCHEMBL29161223 0.87 KCNQ3 (0.37) RXFP1KMT2APTGESCYP1A2CYP2D6
SCHEMBL29161175 0.85 PTGES (0.33) PTGES
SCHEMBL20846763 0.85 SMN1; SMN2 (0.38) KDM4ETRPV1PTGES
SCHEMBL31348985 0.85 RXFP1 (0.41) TRPV1RXFP1PTGESTMPRSS4
SCHEMBL31253336 0.85 PTGES (0.33) PTGES
SCHEMBL29161189 0.83 KCNQ3 (0.36) KMT2APTGES
SCHEMBL20846847 0.83 GPBAR1 (0.35) RXFP1KMT2APTGES
SCHEMBL20846803 0.83 RXFP1 (0.38) KDM4ETRPV1RXFP1PTGESTMPRSS4

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