SCHEMBL8539307

SCHEMBL8539307

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2ccc(Cl)cc2C(=O)C2CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
CDK1 P06493 1/20 0.39
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.37
MRGPRX1 Q96LB2 2/20 0.36
CCR9 P51686 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8539345 0.89 GAA (0.45) GAACDK1CYP1A2ALDH1A1MRGPRX1
SCHEMBL6573975 0.89 GAA (0.54) GAACDK1CYP1A2ALDH1A1MRGPRX1
SCHEMBL53468 0.88 GAA (0.47) GAACDK1CYP1A2ALDH1A1TSHR
SCHEMBL29510603 0.88 GAA (0.47) GAACDK1CYP1A2ALDH1A1TSHR
SCHEMBL6812884 0.87 GAA (0.47) GAACDK1CYP1A2ALDH1A1TSHR
SCHEMBL8538021 0.87 GAA (0.43) GAACDK1CYP1A2ALDH1A1TP53
SCHEMBL7813176 0.84 CDK1 (0.52) GAACDK1CYP1A2ALDH1A1TSHR
SCHEMBL9316190 0.79 GAA (0.48) GAACDK1CYP1A2ALDH1A1TP53
SCHEMBL2372940 0.79 CNR1 (0.33) GAACYP1A2ALDH1A1TSHRMRGPRX1
SCHEMBL7808142 0.78 CDK1 (0.55) GAACDK1CYP1A2ALDH1A1TSHR

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-0679646-B1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID CO (US) 1998-07-29 EP disclosed
EP-0679646-A1 Sulfonyl ureas as herbicidal compounds AMERICAN CYANAMID COMPANY (US) 1995-11-02 EP disclosed