SCHEMBL12436241

SCHEMBL12436241

CS(=O)(=O)OC[C@H](N)CN

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MMP9 P14780 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 1/20 0.34
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL15607878 0.76 CA1 (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18926178 0.76 KDM4E (0.34) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL10267444 0.76 CA1 (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL19303377 0.75
SCHEMBL1869617 0.75
SCHEMBL15607872 0.74 CA1 (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL15607869 0.74 HTT (0.38) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL6953092 0.73 EPHX1 (0.53) CA1CA2CA9
SCHEMBL15649660 0.70 ALDH1A1 (0.42) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL28854646 0.70 KDM4E (0.37) KDM4EUSP2ALDH1A1LMNAMMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed