SCHEMBL7745401

SCHEMBL7745401

COc1ccc(C(=O)N(c2c[c]c(F)cc2Cl)S(C)(=O)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.41
MCL1 Q07820 1/20 0.41
MAPT P10636 3/20 0.40
THRB P10828 1/20 0.40
HSP90AA1 P07900 2/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL7747629 0.90 TP53 (0.41) TP53SMN1; SMN2LMNAMCL1MAPT
SCHEMBL7740256 0.85 NR3C2 (0.36) LMNAMAPTKMT2ARAB9AMEN1
SCHEMBL7744846 0.83 TP53 (0.39) TP53SMN1; SMN2LMNAMAPTTHRB
SCHEMBL7740196 0.77 FSCN1 (0.34) LMNAKMT2AALDH1A1KDM4E
SCHEMBL7744815 0.75 TSHR (0.34) SMN1; SMN2LMNAKMT2AALDH1A1HPGD
SCHEMBL7745253 0.74 TP53 (0.37) TP53SMN1; SMN2LMNAMAPTTHRB
SCHEMBL7747648 0.74 ALDH1A1 (0.35) MAPTKMT2AALDH1A1KDM4E
SCHEMBL7755890 0.73 TP53 (0.36) TP53SMN1; SMN2LMNAMAPTTHRB
SCHEMBL7753781 0.68 PARP10 (0.43) TP53SMN1; SMN2LMNAMAPTTHRB
SCHEMBL7745279 0.68 POLB (0.30)

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
WO-2001009087-A1 SUBSTITUTED ARYLHYDRAZONE CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed