SCHEMBL11019342

SCHEMBL11019342

Cc1c(-c2ccccn2)c[nH]c(=O)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
SQOR Q9Y6N5 2/20 0.38
BRD4 O60885 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
PDE9A O76083 1/20 0.36
MET P08581 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 2/20 0.36
HCRTR1 O43613 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL11016918 0.78 HPGD (0.38) CHEK1SQORBRD4NPC1RAB9A
SCHEMBL11026081 0.78 PARP1 (0.50) PDE9AKDM4EALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL29827689 0.77 KDM4E (0.50) CHEK1SQORNPC1RAB9APDE9A
SCHEMBL11020788 0.77 LRRK2 (0.42) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL11023115 0.75 PDE3B (0.50) SQORMAPTKDM4EALDH1A1HPGD
SCHEMBL11020771 0.74 KDM4E (0.46) SQORMETKDM4EALDH1A1HPGD
SCHEMBL11019014 0.72 HTT (0.49) SQORMAPTKDM4EALDH1A1HPGD
SCHEMBL6535826 0.72 CHEK1 (0.46) CHEK1BRD4NPC1RAB9AMAPT
SCHEMBL22316413 0.70 SQOR (0.38) SQORNPC1RAB9AMAPTMITF
SCHEMBL11023464 0.70 KDM4E (0.46) MAPTKDM4EALDH1A1HPGDLMNA

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 EP disclosed