SCHEMBL6547822

SCHEMBL6547822

C#CS(=O)(=O)c1cc(C)cs1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
CA2 P00918 3/20 0.34
KIT P10721 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL6550179 0.77 DAO (0.33) DAOCA2
SCHEMBL2009694 0.72 CA2 (0.58) CA2CCNE1CDK2CDK5CDK5R1
SCHEMBL3100175 0.72 DAO (0.43) DAOCA2KIT
SCHEMBL1127299 0.72 DAO (0.39) DAOCA2KIT
Hydrochloric Acid SCHEMBL27830652 0.71 DAO (0.42) DAOCA2KIT
SCHEMBL23569830 0.69 CA2 (0.42) DAOCA2KITCCNE1CDK2
SCHEMBL7457602 0.64 KMT2A (0.50) CA2
SCHEMBL6548168 0.64 F2 (0.47) CA2
SCHEMBL7458962 0.61 ALDH1A1 (0.36) CA2
SCHEMBL1721592 0.61 GAA (0.54) CA2

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-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP claimed
EP-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP disclosed