SCHEMBL9788640

SCHEMBL9788640

COc1cc(CCl)nc(NC(=O)NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CDK1 P06493 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
GSTO1 P78417 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 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
SCHEMBL10508252 0.90 GAA (0.58) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL11086619 0.86 GAA (0.51) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL8444621 0.85 GAA (0.58) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL10363991 0.85 GAA (0.50) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL9788631 0.85 CDK1 (0.45) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL10756494 0.83 GAA (0.49) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL11092594 0.82 GAA (0.54) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL10616134 0.82 GAA (0.67) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL10736294 0.81 GAA (0.56) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL11086097 0.81 GAA (0.56) GAACDK1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4992549-A Herbicidal compositions CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
US-4904783-A Herbicidal compositions CIBA-GEIGY CORPORATION (US) 1990-02-27 US disclosed
US-4902336-A N-ARYLSULFONYL-N'-(4-MERCAPTOMETHYL-PYRIMIDINYLUREA CIBA-GEIGY CORPORATION (US) 1990-02-20 US disclosed
US-4786315-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1988-11-22 US disclosed
US-4656273-A Process for producing sulfonylureas CIBA-GEIGY CORPORATION (US) 1987-04-07 US disclosed
US-4639264-A PLANT GROWTH REGULATORS CIGA-GEIGY CORPORATION (US) 1987-01-27 US disclosed