SCHEMBL7470955

SCHEMBL7470955

O=C1NC(=O)C(NC(=O)c2ccncc2)(c2ccccc2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
MMP13 P45452 1/20 0.45
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
KCNK3 O14649 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
PLOD2 O00469 1/20 0.41
PLOD3 O60568 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
PLOD1 Q02809 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 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) HTTALDH1A1CYP2C19CYP2C9LMNA
SCHEMBL7474643 0.83 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19RAB9A
SCHEMBL7478795 0.83 LMNA (0.45) ALDH1A1RAB9ALMNAKMT2AMEN1
SCHEMBL7477845 0.83 MMP9 (0.42) HTTALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL7475641 0.83 PTGS2 (0.44) HTTALDH1A1CYP2D6CYP2C9RAB9A
SCHEMBL7475491 0.80 PLK1 (0.45) HTTALDH1A1RAB9AGAA
SCHEMBL7484780 0.80 MMP9 (0.46) RAB9AKMT2AMEN1EPHX2
SCHEMBL7478759 0.80 MMP2 (0.43) ALDH1A1RAB9ALMNAKMT2AMEN1
SCHEMBL7482164 0.80 MMP2 (0.49) HTTALDH1A1RAB9AKMT2AKDM4E
SCHEMBL7474409 0.79 MAOA (0.54) KMT2AMEN1GAACA1CA9

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