SCHEMBL11113772

SCHEMBL11113772

COc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OC(F)(F)C(F)C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CDK1 P06493 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 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
SCHEMBL11113146 0.94 GAA (0.54) GAACDK1ALDH1A1KDM4ENPC1
SCHEMBL10999615 0.94 GAA (0.51) GAATSHRSMN1; SMN2CDK1ALDH1A1
SCHEMBL11115042 0.93 ALDH1A1 (0.43) GAATSHRALDH1A1KDM4ENPC1
SCHEMBL10686494 0.89 GAA (0.53) GAATSHRSMN1; SMN2CDK1ALDH1A1
SCHEMBL11000316 0.88 GAA (0.57) GAATSHRCDK1ALDH1A1KDM4E
SCHEMBL10916479 0.87 GAA (0.52) GAATSHRSMN1; SMN2CDK1ALDH1A1
SCHEMBL11004041 0.86 TSHR (0.46) GAATSHRALDH1A1KDM4ENPC1
SCHEMBL10455714 0.85 GAA (0.53) GAATSHRSMN1; SMN2CDK1THRB
SCHEMBL11112932 0.85 ALDH1A1 (0.41) GAASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL10687516 0.83 GAA (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0023422-B1 HERBICIDAL SULFONAMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-02-22 EP claimed