SCHEMBL9055488

SCHEMBL9055488

O=c1[nH]c2ccccc2c(=O)[nH]/c1=N\O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
PARP1 P09874 6/20 0.57
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
MEN1 O00255 1/20 0.57
TNKS O95271 1/20 0.57
CYP1A2 P05177 1/20 0.57
GPR3 P46089 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
PARP15 Q460N3 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TNKS2 Q9H2K2 1/20 0.57
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
MAPT P10636 2/20 0.52
IDE P14735 1/20 0.52
MPI P34949 1/20 0.52
CACNA1B Q00975 1/20 0.52

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
SCHEMBL8872669 1.00 KDM4E (0.57) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8871845 0.84 KDM4E (0.58) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8871843 0.84 KDM4E (0.58) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8811808 0.78 PARP1 (0.62) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8811813 0.78 PARP1 (0.62) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8873438 0.78 PARP1 (0.74) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL9055166 0.76 DAO (0.50) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL8872964 0.76 PARP1 (0.60) KDM4EPARP1ALDH1A1LMNAMEN1
SCHEMBL9055035 0.76 DAO (0.45) KDM4EALDH1A1HSD17B10MAPTDAO
SCHEMBL4121093 0.74 KDM4E (0.62) KDM4EPARP1ALDH1A1LMNAMEN1

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