SCHEMBL8312072

SCHEMBL8312072

C/C(=N/O)c1c(C)nc2ccccn12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL8310543 0.80 CYP1A2 (0.56) KMT2AKDM4EALDH1A1MAPK1HSD17B10
SCHEMBL8315301 0.80 KMT2A (1.00) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL196599 0.80 KMT2A (1.00) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL954146 0.77 KMT2A (0.76) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL954228 0.75 KMT2A (0.64) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL15747676 0.75 KMT2A (0.64) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL2937795 0.75 KMT2A (0.73) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL954303 0.75 KMT2A (0.73) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL8317131 0.75 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1GAAMAPK1
SCHEMBL8312175 0.75 EPHB3 (0.49) KMT2AKDM4EALDH1A1GAALMNA

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-0649425-B1 PYRIDINO-, PYRROLIDINO- AND AZEPINO-SUBSTITUTED OXIMES USEFUL AS ANTI-ATHEROSCLEROSIS AND ANTI-HYPERCHOLESTEROLEMIC AGENTS UPJOHN CO (US) 1999-03-10 EP claimed