SCHEMBL4243547

SCHEMBL4243547

CS(=O)(=O)NCc1cccnn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.44
NAMPT P43490 2/20 0.44
CYP2C9 P11712 1/20 0.44
SETDB1 Q15047 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.40
CYP1A2 P05177 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
MET P08581 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
SCHEMBL1706646 0.76 L3MBTL1 (0.65) L3MBTL1KMT2AMEN1
SCHEMBL29681615 0.76 L3MBTL1 (0.65) L3MBTL1KMT2AMEN1
SCHEMBL31310698 0.76 CTDSP1 (0.38) VNN1NAMPTCYP2C9CTDSP1CYP1A2
SCHEMBL1272007 0.76 CTDSP1 (0.42) VNN1NAMPTCYP2C9CTDSP1CYP1A2
SCHEMBL9290553 0.75
SCHEMBL9402 0.72 CYP2C9 (0.48) VNN1NAMPTCYP2C9CTDSP1CYP1A2
SCHEMBL12079383 0.72 CTDSP1 (0.42) VNN1NAMPTCYP2C9CTDSP1CYP1A2
SCHEMBL8230937 0.71 NPSR1 (0.62) VNN1NAMPTCYP2C9SETDB1CTDSP1
SCHEMBL19764921 0.71 CTDSP1 (0.43) VNN1NAMPTCYP2C9CTDSP1CYP1A2
SCHEMBL22256163 0.70 CYP1A2 (0.41) VNN1NAMPTCYP2C9CTDSP1CYP1A2

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-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO claimed