SCHEMBL6942868

SCHEMBL6942868

COC(=O)c1ccc(/N=C/N(C)C)cc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA5A P35218 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA7 P43166 1/20 0.32

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
SCHEMBL6942872 1.00 KMT2A (0.40) KMT2APTGS1PTGS2CA1CA2
SCHEMBL6941832 0.84 CA2 (0.50) KMT2APTGS1PTGS2CA1CA2
SCHEMBL6941837 0.84 CA2 (0.50) KMT2APTGS1PTGS2CA1CA2
SCHEMBL7653952 0.76 CDK1 (0.57) KMT2APTGS1PTGS2GAAMAPT
SCHEMBL17825638 0.76 KMT2A (0.58) KMT2APTGS1PTGS2CA1CA2
SCHEMBL17825688 0.76 KMT2A (0.58) KMT2APTGS1PTGS2CA1CA2
SCHEMBL6151581 0.75 KDM4E (0.52) KMT2ACA1CA2CA9CA5A
SCHEMBL7924986 0.75 LMNA (0.45) KMT2ACA1CA2CA9CA5A
SCHEMBL21962901 0.74 KMT2A (0.39) KMT2ACA1CA2CA9CA5A
SCHEMBL7875914 0.74 GAA (0.54) KMT2ACA1CA2CA9CA5A

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-0912093-B1 (HETERO)ARYL SULPHONYL UREAS WITH AN IMINOFUNCTION, THE PREPARATION AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2003-08-06 — — EP disclosed
US-6410482-B1 CONTROLLING WEEDS, GRASSES; COMPOUND CONTAINING PYRIMIDINE RING HOECHST SCHERING AGREVO GMBH (DE) 2002-06-25 — — US disclosed
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