SCHEMBL7478795

SCHEMBL7478795

Cc1ccc(C(=O)NC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP9 P14780 3/20 0.43
MMP2 P08253 2/20 0.43
MMP8 P22894 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ADAM17 P78536 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GSK3B P49841 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL7482004 0.90 ALDH1A1 (0.46) LMNAMAPTMMP9MMP2MMP8
SCHEMBL7483158 0.87 MMP9 (0.41) POLBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7480698 0.87 AKR1B1 (0.48) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL7474643 0.86 ALDH1A1 (0.45) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL7477845 0.86 MMP9 (0.42) POLBMAPTMMP9MMP2MMP8
SCHEMBL7475641 0.86 PTGS2 (0.44) LMNAPOLBNPC1RAB9AMAPT
SCHEMBL7475491 0.85 PLK1 (0.45) POLBNPC1RAB9AMMP9MMP2
SCHEMBL7482164 0.85 MMP2 (0.49) NPC1RAB9ASMN1; SMN2MMP9MMP2
SCHEMBL7475852 0.85 KMT2A (0.53) LMNANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7471334 0.85 SMN1; SMN2 (0.52) POLBNPC1RAB9AMAPTSMN1; SMN2

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