SCHEMBL6535353

SCHEMBL6535353

COc1ccc(C(=O)O)c(S(=O)(=O)NC(=O)Nc2nc(C)nc(OC)n2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
GAA P10253 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL10853805 0.92 CDK1 (0.43) CDK1GAAALDH1A1KDM4EMAPT
SCHEMBL9756352 0.90 CDK1 (0.43) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL119814 0.89 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL29686924 0.89 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL7638003 0.89 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
SCHEMBL9248880 0.89 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL29355338 0.89 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL6061256 0.88 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL21582014 0.88 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT
Iodosulfuron SCHEMBL16670263 0.88 CDK1 (0.42) CDK1GAAALDH1A1KDM4EMAPT

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-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP claimed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP claimed
WO-2004020401-A1 SYNTHESIS OF SULFONAMIDE DERIVATIVES SYNGENE INTERNATIONAL PRIVATE LIMITED (IN) 2004-03-11 WO disclosed
EP-0162723-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-29 EP disclosed
US-4632693-A POSTEMERGENCE GRASSES IN WHEAT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-30 US disclosed
EP-0162723-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1985-11-27 EP disclosed