SCHEMBL2951374

SCHEMBL2951374

O=C1NC(=O)c2c1ccc1c2CCCCCCCCCC1Br

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.53
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK10 P53779 1/20 0.36
CASP3 P42574 2/20 0.33
PPOX P50336 1/20 0.31
GAA P10253 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL10607840 0.81 PARP1 (0.53) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL28688565 0.71 PARP1 (0.45) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL2662415 0.70 MAOA (0.43) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL17017132 0.69 PARP1 (1.00) PARP1PPOXGSK3B
SCHEMBL2653820 0.69 KDM4E (0.42) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL6553368 0.68 PARP1 (0.67) PARP1PPOXGSK3B
SCHEMBL1756151 0.67 PARP1 (0.47) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL27841104 0.66 MAOA (0.40) PARP1MAOAMAOBKDM4EALDH1A1
SCHEMBL6340545 0.65 PARP1 (0.79) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28293878 0.65 MAOA (0.39) PARP1MAOAMAOBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759420-B2 Layered silicate and thermoplastic resin composition containing it TEIJIN LIMITED (JP) 2010-07-20 US disclosed
EP-1538183-B1 THERMOPLASTIC FILM, THERMOPLASTIC RESIN COMPOSITION, AND PHYLLOSILICATE TEIJIN LTD (JP) 2007-10-31 EP disclosed
US-20070106004-A1 Layered silicate and thermoplastic resin composition containing it TEIJIN LIMITED (JP) 2007-05-10 US disclosed
US-7189782-B2 Thermoplastic film, thermoplastic resin composition, and phyllosilicate TEIJIN LIMITED (JP) 2007-03-13 US disclosed
EP-1702887-A1 PHYLLOSILICATE AND THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2006-09-20 EP disclosed
EP-1538183-A1 THERMOPLASTIC FILM, THERMOPLASTIC RESIN COMPOSITION, AND PHYLLOSILICATE TEIJIN LIMITED (JP) 2005-06-08 EP disclosed
US-20050089698-A1 Thermoplastic film, thermoplastic resin composition, and phyllosilicate TEIJIN LIMITED (JP) 2005-04-28 US disclosed