SCHEMBL9401522

SCHEMBL9401522

COc1cc(OC)nc(SC(C=O)Cc2ccc(Cl)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TOP2A P11388 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ALOX5 P09917 1/20 0.33
ADORA1 P30542 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TXNRD1 Q16881 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9401327 0.88 ALOX5 (0.43) KMT2ACYP1A2CYP2C19MEN1CYP2D6
SCHEMBL9384583 0.87 PTGES (0.42) ALOX5
SCHEMBL9401258 0.85 TP53 (0.46) EDNRBEDNRAKMT2ACYP1A2CYP2C9
SCHEMBL9401516 0.81 NPSR1 (0.36) MAPTL3MBTL1NPSR1
SCHEMBL9401286 0.78 EDNRB (0.36) EDNRBEDNRAKMT2ACYP1A2CYP2C9
SCHEMBL9383531 0.78 ALDH1A1 (0.37) ADORA3ALOX5ADORA1
SCHEMBL9401337 0.77 EDNRB (0.38) EDNRBEDNRAKMT2ACYP1A2CYP2C9
SCHEMBL9401344 0.77 CTSA (0.34) EDNRBEDNRAALOX5
SCHEMBL9401365 0.77 ALDH1A1 (0.35) ALOX5
SCHEMBL9401540 0.76 PTGES (0.33) ALOX5

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
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed