SCHEMBL8539682

SCHEMBL8539682

CC(=O)N(C)c1cccnc1SC(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 8/20 0.42
KMT2A Q03164 1/20 0.40
TSPO P30536 1/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
FSCN1 Q16658 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL5962395 0.72 ALDH1A1 (0.55) KMT2ACYP2C9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22072300 0.71 LMNA (0.49) ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR
SCHEMBL6833175 0.71 PARP1 (0.47) FFAR4KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL8538146 0.71 ALDH1A1 (0.39) FFAR4KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL26666368 0.70 ALDH1A1 (0.40) TSPOCYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL8535668 0.69 TSPO (0.39) KMT2ATSPOCYP2C9CYP2C19ALDH1A1
SCHEMBL7955241 0.69 TSPO (0.39) KMT2ATSPOCYP2C9CYP2C19ALDH1A1
SCHEMBL1583838 0.69 NOS3 (0.43) FFAR4ALDH1A1KDM4EALOX5APFEN1
SCHEMBL8535452 0.68 F9 (0.39) FFAR4KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4598715 0.68 HPGD (0.37) FFAR4KMT2AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600836-B1 Selective herbicidal agent CIBA GEIGY AG (CH) 1998-08-05 EP disclosed
US-5612288-A PYRIDYLSULFONYLUREAS AS PLANT HERBICIDES CIBA GEIGY CORPORATION (US) 1997-03-18 US disclosed
US-5532203-A SULFONYLUREA MIXTURE CIBA-GEIGY CORPORATION (US) 1996-07-02 US disclosed
EP-0600836-A2 Selective herbicidal agent CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed