SCHEMBL31723116

SCHEMBL31723116

O=C(O)c1c(-c2cc(F)cc(F)c2)oc2ccc(Br)cc2c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRB1 P18505 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRA5 P31644 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRB2 P47870 3/20 0.44

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
SCHEMBL20919218 1.00 KMT2A (0.53) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL31723161 0.89 GABRP (0.56) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20918210 0.85 MAPT (0.74) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL31723169 0.85 MAPT (0.74) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL28427563 0.85 MEN1 (0.53) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20919116 0.83 KMT2A (0.56) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL31723153 0.83 KMT2A (0.56) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20919316 0.82 MAPT (0.56) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL31723112 0.82 MAPT (0.56) KMT2AKDM4ESMN1; SMN2MEN1NPC1
SCHEMBL20919389 0.81 NMUR2 (0.52) KMT2AKDM4ESMN1; SMN2MEN1NPC1

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