SCHEMBL31723157

SCHEMBL31723157

Cc1cccc2c(=O)c(C(=O)O)c(-c3cccs3)oc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 7/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 3/20 0.43
USP2 O75604 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
S1PR4 O95977 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GPR35 Q9HC97 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL20919285 1.00 MCL1 (0.45) MCL1KDM4EMEN1KMT2AHTT
SCHEMBL31723179 0.84 MAOA (0.46) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL20918189 0.84 MAOA (0.46) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL14266219 0.80 ALDH1A1 (0.58) MCL1KDM4EMEN1KMT2AHTT
SCHEMBL20923496 0.79 KMT2A (0.68) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL31723118 0.79 KMT2A (0.68) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL8875211 0.78 LMNA (0.44) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL28898264 0.78 KDM4E (0.40) MCL1KDM4EMEN1KMT2AHTT
SCHEMBL20919340 0.77 MAPT (0.67) KDM4EMEN1KMT2AHTTUSP2
SCHEMBL31723123 0.77 MAPT (0.67) KDM4EMEN1KMT2AHTTUSP2

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