SCHEMBL7808142

SCHEMBL7808142

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.55
GAA P10253 1/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
PABPC1 P11940 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIK1 P39086 2/20 0.35
PCTP Q9UKL6 1/20 0.35
STARD10 Q9Y365 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
SCHEMBL7813176 0.92 CDK1 (0.52) CDK1GAATSHRALDH1A1HPGD
Chlorobenzene SCHEMBL23797205 0.87 CDK1 (0.50) CDK1GAATSHRALDH1A1SMN1; SMN2
SCHEMBL116126 0.87 CDK1 (0.55) CDK1GAATSHRSMN1; SMN2CYP1A2
SCHEMBL29878397 0.87 CDK1 (0.55) CDK1GAATSHRSMN1; SMN2CYP1A2
SCHEMBL7806403 0.83 CDK1 (0.53) CDK1GAAALDH1A1HTTCYP1A2
SCHEMBL7806393 0.82 GAA (0.56) CDK1GAAHTTSMN1; SMN2CYP1A2
SCHEMBL7809237 0.81 CDK1 (0.49) CDK1GAATSHRALDH1A1HTT
SCHEMBL8111084 0.81 CDK1 (0.47) CDK1GAACYP1A2TP53GLA
SCHEMBL7808101 0.79 GAA (0.47) CDK1GAATSHRALDH1A1SMN1; SMN2
SCHEMBL8539307 0.78 GAA (0.44) CDK1GAATSHRALDH1A1HPGD

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-0971902-B1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2001-12-19 EP disclosed
US-6329323-B1 AMINOTRIAZINE DERIVATIVES ISAGRO RICERCA S.R.L. (IT) 2001-12-11 US disclosed