SCHEMBL3133404

SCHEMBL3133404

COc1ccc2c(O)c(-c3ccc([N+](=O)[O-])cc3OC)c(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.52
CTSL P07711 1/20 0.52
FASN P49327 1/20 0.49
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46
CCNB1 P14635 2/20 0.46
GSK3B P49841 2/20 0.46
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CCNB3 Q8WWL7 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
PARP1 P09874 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
AMY1A P0DUB6 1/20 0.42
SNCA P37840 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
SCHEMBL7255932 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL9781436 0.81 FASN (0.50) FASNCCNE1CDK2CCNB2CDK1
SCHEMBL8897572 0.77 GRIN2D (0.65) CTSVCTSLKDM4EALDH1A1MAPT
SCHEMBL8000790 0.74 PARP1 (0.57) CTSVCTSLFASNMAPTPARP1
SCHEMBL8784156 0.73 CYP1A2 (0.56) KDM4EKMT2A
SCHEMBL8001957 0.72 PARP1 (0.57) CTSVCTSLFASNKDM4EALDH1A1
SCHEMBL4827488 0.72 CYP1A2 (0.62) KDM4EALDH1A1MAPTKMT2A
SCHEMBL8785378 0.71 FASN (0.81) FASNKDM4EMAPTPARP1KMT2A
SCHEMBL8000855 0.71 PARP1 (0.67) FASNKDM4EALDH1A1MAPTPARP1
SCHEMBL10650769 0.70 PARP1 (0.46) ALDH1A1MAPTPARP1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021333-B1 ANTI-PROLIFERATIVE COMPOUNDS DERIVING FROM A 3-ARYL-COUMARINE OR 3-ARYL-QUINOLIN-2-ONE AND USES THEREOF EOS ETHICAL ONCOLOGY SCIENCE S (IT) 2010-07-14 EP disclosed