SCHEMBL31723129

SCHEMBL31723129

COc1ccc(-c2oc3ccc(Br)cc3c(=O)c2C(=O)O)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP3A4 P08684 4/20 0.56
CASP1 P29466 3/20 0.56
CASP7 P55210 3/20 0.56
ABCB1 P08183 4/20 0.54
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ABCG2 Q9UNQ0 7/20 0.51
NPC1 O15118 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49

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
SCHEMBL31723149 0.87 MAPT (0.73) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL22284778 0.87 MAPT (0.73) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL31723130 0.86 CA1 (0.60) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL22284795 0.86 CA1 (0.60) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL28425332 0.85 MEN1 (0.72) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL31723152 0.85 MEN1 (0.72) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL1422017 0.85 MAPT (0.76) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL31723172 0.81 ABCG2 (0.73) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL31723128 0.81 MAPT (0.60) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL28431125 0.81 ABCG2 (0.73) KDM4EMAPTMEN1ALDH1A1KMT2A

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