SCHEMBL7809237

SCHEMBL7809237

COc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2ccccc2C(=O)N(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.49
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL116126 0.94 CDK1 (0.55) CDK1TSHRSMN1; SMN2ALOX15GAA
SCHEMBL29878397 0.94 CDK1 (0.55) CDK1TSHRSMN1; SMN2ALOX15GAA
SCHEMBL7813223 0.91 ALOX15 (0.51) CDK1TSHRALOX15GAATHRB
SCHEMBL1013413 0.89 TSHR (0.48) TSHRSMN1; SMN2ALOX15GAAMAPT
Chlorobenzene SCHEMBL23797205 0.89 CDK1 (0.50) CDK1TSHRSMN1; SMN2ALOX15GAA
SCHEMBL9248108 0.86 TSHR (0.48) TSHRSMN1; SMN2ALOX15GAAMAPT
SCHEMBL7808101 0.86 GAA (0.47) CDK1TSHRSMN1; SMN2ALOX15GAA
SCHEMBL10946516 0.86 TSHR (0.51) TSHRSMN1; SMN2ALOX15GAAMAPT
SCHEMBL10946515 0.85 TSHR (0.50) TSHRSMN1; SMN2ALOX15GAAMAPT
SCHEMBL7801275 0.84 GAA (0.45) CDK1TSHRSMN1; SMN2ALOX15GAA

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 4 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
EP-0971902-A1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA S.r.l. (IT) 2000-01-19 EP disclosed
WO-1998040361-A1 AMINOSULFONYLUREAS WITH HERBICIDAL ACTIVITY ISAGRO RICERCA S.R.L. (IT) 1998-09-17 WO disclosed