SCHEMBL7482164

SCHEMBL7482164

COc1ccc(C(=O)NC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP8 P22894 2/20 0.49
KCNA3 P22001 1/20 0.48
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
F10 P00742 1/20 0.48
KMT2A Q03164 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KCNK9 Q9NPC2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PLK1 P53350 1/20 0.45

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
SCHEMBL7481304 0.86 NPC1 (0.49) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL7480996 0.86 RAB9A (0.56) CNR2ALDH1A1SMN1; SMN2KMT2ANPC1
SCHEMBL7482004 0.86 ALDH1A1 (0.46) MMP2MMP9MMP8ALDH1A1KDM4E
SCHEMBL7478795 0.85 LMNA (0.45) MMP2MMP9MMP8ALDH1A1SMN1; SMN2
SCHEMBL7479933 0.84 ALDH1A1 (0.51) CNR2ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL7480698 0.83 AKR1B1 (0.48) MMP2MMP9MMP8CNR2ALDH1A1
SCHEMBL7474643 0.82 ALDH1A1 (0.45) MMP2MMP9ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7475641 0.82 PTGS2 (0.44) MMP2MMP9MMP8ALDH1A1KDM4E
SCHEMBL7477845 0.82 MMP9 (0.42) MMP2MMP9MMP8ALDH1A1KDM4E
SCHEMBL7479732 0.82 RAB9A (0.51) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US claimed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed