SCHEMBL10364239

SCHEMBL10364239

COc1cc(I)nc(NC(=O)NS(=O)(=O)c2cc(C)ccc2C(=O)O)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.51
GAA P10253 1/20 0.49
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39
ACLY P53396 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FBP1 P09467 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
SCHEMBL10364232 0.88 GAA (0.51) CDK1GAAKMT2ATP53GLA
SCHEMBL11378540 0.82 CDK1 (0.57) CDK1GAAKMT2ATP53GLA
SCHEMBL11378542 0.80 CDK1 (0.52) CDK1GAAMEN1KMT2ATP53
Methyl Carbamate SCHEMBL5847522 0.80 CDK1 (0.53) CDK1GAAMEN1USP2KMT2A
SCHEMBL10469643 0.79 GAA (0.59) CDK1GAAKMT2ATP53GLA
SCHEMBL10839261 0.79 CDK1 (0.55) CDK1GAAKMT2AACLYTP53
SCHEMBL9835883 0.79 CDK1 (0.55) CDK1GAAKMT2ATP53GLA
SCHEMBL8106622 0.78 GAA (0.58) CDK1GAAMEN1USP2KMT2A
SCHEMBL3306857 0.78 CDK1 (0.61) CDK1GAAMEN1USP2KMT2A
SCHEMBL9756240 0.78 CDK1 (0.52) CDK1GAAKMT2ATP53GLA

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
EP-0161905-B1 HERBICIDAL HALOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-01 EP claimed
US-4659361-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-21 US claimed
EP-0161905-A2 Herbicidal halopyrimidines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-21 EP claimed
EP-0161905-B1 HERBICIDAL HALOPYRIMIDINES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-08-01 EP disclosed
US-4659361-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-21 US disclosed
EP-0161905-A2 Herbicidal halopyrimidines E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-21 EP disclosed