SCHEMBL9533018

SCHEMBL9533018

Cn1nc(-c2cc(CSCC(=O)O)c(Cl)cc2F)c(Cl)c1S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
FABP4 P15090 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL8570834 0.84 KDM4E (0.36) KDM4EPOLBMAPTFABP4ALDH1A1
SCHEMBL9696189 0.83
SCHEMBL9696200 0.81 BRD9 (0.30)
SCHEMBL27342760 0.79
SCHEMBL7590435 0.79 LMNA (0.38)
SCHEMBL9534173 0.78 PTGDR2 (0.39) KDM4EALDH1A1HPGD
SCHEMBL9530417 0.77 RORC (0.31)
SCHEMBL7972198 0.76 NTRK1 (0.34)
SCHEMBL9537862 0.75 APEX1 (0.38) ALDH1A1
SCHEMBL5922945 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542872-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1993-05-26 EP disclosed
WO-1992002509-A1 HERBICIDAL SUBSTITUTED ARYL ALKYLSULFONYL PYRAZOLES MONSANTO COMPANY (US) 1992-02-20 WO disclosed