SCHEMBL9756352

SCHEMBL9756352

COc1nc(C)nc(NC(=O)NS(=O)(=O)c2cc(C(=O)O)ccc2C(=O)O)n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.43
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11377675 0.94 CDK1 (0.46) CDK1GAAMAPTNPSR1RAD52
SCHEMBL11384234 0.90 CDK1 (0.41) CDK1GAAMAPTNPSR1
SCHEMBL6535353 0.90 CDK1 (0.43) CDK1GAAMAPTALDH1A1KDM4E
SCHEMBL11411747 0.89 MAPT (0.53) CDK1MAPTALDH1A1KDM4ENPC1
Iodosulfuron SCHEMBL7638003 0.89 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL119814 0.89 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E
SCHEMBL9248880 0.89 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL6061256 0.88 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL21582014 0.88 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E
Iodosulfuron SCHEMBL16670263 0.88 CDK1 (0.42) CDK1GAAMAPTALDH1A1KDM4E

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
WO-1991004967-A1 COMPOUNDS USEFUL FOR MEASURING LOW LEVELS OF SULFONYLUREAS BY IMMUNOASSAY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-18 WO disclosed
US-4302241-A N-(PYRIMIDIN-2-YL-AMINOCARBONYL) ARYL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-24 US disclosed