SCHEMBL4773600

SCHEMBL4773600

CS(=O)(=O)NCCCCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.41
FABP4 P15090 1/20 0.40
ADRA1A P35348 1/20 0.39
EPHX1 P07099 4/20 0.39
GRIA1 P42261 3/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
PRMT1 Q99873 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3863697 0.98 POLB (0.44) EPHX2POLBKDM4EMAPK1HIF1A
SCHEMBL146344 0.94 ALDH1A1 (0.46) EPHX2POLBKDM4EMAPK1HIF1A
SCHEMBL145975 0.85 KDM4D (0.39) POLBKDM4EKMT2AALDH1A1CA2
SCHEMBL27160294 0.83 EPHX2 (0.52) EPHX2POLBMEN1KMT2AALDH1A1
SCHEMBL14739515 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1
SCHEMBL14739265 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1
SCHEMBL14739816 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1
SCHEMBL14740061 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1
SCHEMBL14739086 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1
SCHEMBL15836237 0.82 GRIA1 (0.52) EPHX2POLBKDM4EALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831221-A4 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831221-A2 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M Innovative Properties Company (US) 2007-09-12 EP disclosed
WO-2006083440-A2 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-C] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-10 WO disclosed