SCHEMBL31723112

SCHEMBL31723112

O=C(O)c1c(-c2ccc(Cl)cc2)oc2ccc(Br)cc2c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
TP53 P04637 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
DHODH Q02127 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
TTR P02766 2/20 0.46
LMNA P02545 1/20 0.45
ANO1 Q5XXA6 2/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL20919316 1.00 MAPT (0.56) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31723174 0.89 MAPT (0.61) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20923370 0.89 MAPT (0.61) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL22284779 0.85 MAPT (0.79) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31723133 0.85 MAPT (0.79) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8709977 0.83 MAPT (0.71) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL20919218 0.82 KMT2A (0.53) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31723116 0.82 KMT2A (0.53) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL28429303 0.81 RET (0.63) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL31723129 0.80 KDM4E (0.56) MAPTKMT2AKDM4ESMN1; SMN2ALDH1A1

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
EP-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed