SCHEMBL6824613

SCHEMBL6824613

Nn1c(-c2ccccc2)cc2ccccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
KDM4E B2RXH2 4/20 0.45
PIM1 P11309 1/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PKM P14618 2/20 0.42
MAPT P10636 1/20 0.42
PTGES O14684 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL15775852 0.79 KMT2A (0.58) KMT2AL3MBTL1PDE4APDE4BPDE4C
SCHEMBL30160665 0.77 MAPK1 (0.53) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL28513461 0.77 MAPK1 (0.53) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL14846515 0.74 KDM4E (0.51) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL1034613 0.73 ALDH1A1 (0.56) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL22022081 0.73 KMT2A (0.60) KMT2AL3MBTL1KDM4EALDH1A1MAPT
SCHEMBL1033487 0.68 ALDH1A1 (0.55) KMT2AKDM4EALDH1A1RAB9AMAPT
SCHEMBL12324340 0.68 CYP1A2 (0.49) KDM4EPIM1ALDH1A1NPC1RAB9A
SCHEMBL3751629 0.68 KMT2A (1.00) KMT2AKDM4EALDH1A1RAB9AMAPT
SCHEMBL12365929 0.67 L3MBTL1 (0.46) KMT2AL3MBTL1KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO claimed
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed