SCHEMBL9055035

SCHEMBL9055035

Cc1ccc2c(=O)[nH]c(=NO)c(=O)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.45
DDO Q99489 1/20 0.45
KIF11 P52732 3/20 0.42
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHEK1 O14757 1/20 0.39
PTGES O14684 1/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2G Q13555 1/20 0.38
CAMK2D Q13557 1/20 0.38
CAMK2A Q9UQM7 1/20 0.38
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL8873683 0.81 KIF11 (0.52) DAODDOKIF11MAPTMITF
SCHEMBL9055166 0.81 DAO (0.50) DAODDOKDM4EALDH1A1
SCHEMBL8872964 0.81 PARP1 (0.60) DAOKDM4EALDH1A1
SCHEMBL8873159 0.77 CA12 (0.50) KIF11MAPTHSD17B10ALDH1A1
SCHEMBL9055488 0.76 KDM4E (0.57) DAODDOMAPTHSD17B10KDM4E
SCHEMBL8872669 0.76 KDM4E (0.57) DAODDOMAPTHSD17B10KDM4E
SCHEMBL30014154 0.75 KDM4E (0.53) DAODDOKIF11MAPTMITF
SCHEMBL20792931 0.75 PARP1 (0.56) DAODDOKIF11MAPTRXFP1
SCHEMBL184315 0.75 KDM4E (0.53) DAODDOKIF11MAPTMITF
SCHEMBL8872589 0.73 GRIN2D (0.65) DAODDOHSD17B10KDM4EALDH1A1

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
WO-1996004288-A1 GLYCINE RECEPTOR ANTAGONIST PHARMACOPHORE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1996-02-15 WO disclosed