SCHEMBL5203518

SCHEMBL5203518

NC(=O)Oc1ccc2c(N)cccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
RCE1 Q9Y256 1/20 0.41
HTR3A P46098 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HIF1A Q16665 1/20 0.36
NCF1 P14598 8/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5206188 0.83 HTR3A (0.40) KMT2AKDM4EPOLBGAAALDH1A1
SCHEMBL5201133 0.82 ALDH1A1 (0.43) KMT2AKDM4EPOLBGAAALDH1A1
SCHEMBL5200482 0.79 TSPO (0.49) KMT2AKDM4EALDH1A1NPC1LMNA
SCHEMBL10768300 0.78 MEN1 (0.52) KMT2AKDM4EPOLBALDH1A1LMNA
SCHEMBL5202897 0.77 MTNR1A (0.42) KMT2AKDM4EHTR3AMEN1MAPT
SCHEMBL3532637 0.76 HTR3A (0.46) KMT2AKDM4EPOLBGAAALDH1A1
SCHEMBL31179390 0.76 HTR3A (0.46) KMT2AKDM4EPOLBGAAALDH1A1
SCHEMBL2316635 0.76 MGAM (0.47) KMT2AKDM4EGAAALDH1A1NPC1
SCHEMBL31140011 0.76 MGAM (0.47) KMT2AKDM4EGAAALDH1A1NPC1
SCHEMBL4819768 0.75 GRM2 (0.47) KMT2AKDM4EPOLBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492771-B1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2007-02-28 EP disclosed
EP-1492771-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
WO-2003082827-A1 QUINOLINE AND ISOQUINOLINE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-09 WO disclosed