SCHEMBL13623391

SCHEMBL13623391

CS(=O)(=O)NS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
IDO1 P14902 3/20 0.50
KDM1A O60341 1/20 0.50
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MMP1 P03956 2/20 0.47
MMP2 P08253 2/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
PTGS2 P35354 1/20 0.46
HSD11B1 P28845 3/20 0.46

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
SCHEMBL13590961 0.88 CYP19A1 (0.61) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL25619940 0.84 CYP19A1 (0.50) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL4613144 0.80 CYP19A1 (0.58) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL19787562 0.78 CYP19A1 (0.59) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL803901 0.77 PTGS2 (0.68) CYP19A1KDM1ACA12CA1CA2
SCHEMBL422400 0.76 CYP19A1 (0.58) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL20256301 0.76 CYP19A1 (0.58) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL9245490 0.76 CYP19A1 (0.58) CYP19A1IDO1KDM1AKMT2ACA12
SCHEMBL2495472 0.76 CYP19A1 (0.58) CYP19A1IDO1KDM1ACA12CA1
SCHEMBL8277063 0.76 MMP13 (0.60) CYP19A1IDO1KDM1AKMT2AMMP1

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
US-7618683-B2 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2009-11-17 US disclosed
US-20070160815-A1 Ink composition, inkjet recording method, printed material, process for producing lithographic printing plate, and lithographic printing plate FUJIFILM CORPORATION (JP) 2007-07-12 US disclosed