SCHEMBL28429289

SCHEMBL28429289

Cc1ccc2c(=O)c(C(=O)O)c(-c3cccs3)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 3/20 0.48
USP2 O75604 2/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
POLB P06746 3/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CYP3A4 P08684 2/20 0.39

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
SCHEMBL31723123 0.90 MAPT (0.67) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL20919340 0.90 MAPT (0.67) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL28431136 0.85 KDM4E (0.58) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL20918249 0.85 CA1 (0.51) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31723141 0.85 CA1 (0.51) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL20923496 0.83 KMT2A (0.68) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31723118 0.83 KMT2A (0.68) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31723158 0.79 MAPT (0.68) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL28431175 0.79 MAPT (0.68) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL31723127 0.78 KMT2A (0.52) KDM4EALDH1A1KMT2AMAPTMEN1

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 3 patents. 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
CN-111315730-A Composition for preventing or treating tumor necrosis factor-related diseases comprising novel derivative as active ingredient and method for inhibiting tumor necrosis factor activity using the same 艾伊莱布 2020-06-19 CN claimed
CN-111315730-A Composition for preventing or treating tumor necrosis factor-related diseases comprising novel derivative as active ingredient and method for inhibiting tumor necrosis factor activity using the same 艾伊莱布 2020-06-19 CN disclosed