SCHEMBL7475641

SCHEMBL7475641

O=C1NC(=O)C(NC(=O)c2ccc(Cl)cc2)(c2ccccc2)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
ADAM17 P78536 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 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) MEN1KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL7480698 0.87 AKR1B1 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7478795 0.86 LMNA (0.45) PTGS2NPC1RAB9AMEN1KMT2A
SCHEMBL7477845 0.86 MMP9 (0.42) MEN1KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL7474643 0.86 ALDH1A1 (0.45) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL7482260 0.85 KCNA3 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL7470955 0.83 HTT (0.46) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL7478759 0.82 MMP2 (0.43) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL7482164 0.82 MMP2 (0.49) PTGS2NPC1RAB9AKMT2AKDM4E
SCHEMBL7475491 0.82 PLK1 (0.45) NPC1RAB9ATP53ALDH1A1HTT

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