SCHEMBL5023733

SCHEMBL5023733

Cc1nc2cc(F)c(F)cc2nc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGK1 P00558 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL15646548 0.83 PGK1 (0.47) ALDH1A1KDM4ESMN1; SMN2PGK1CYP1A2
SCHEMBL15646537 0.83 PGK1 (0.47) ALDH1A1KDM4ESMN1; SMN2PGK1CYP1A2
SCHEMBL121641 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL29558664 0.83 TDP1 (0.46) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL14134965 0.83 TDP1 (0.40) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL6307514 0.81 HRH4 (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2662790 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL2178248 0.79 KDM4E (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL428426 0.79 KDM4E (0.48) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL404244 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956020-A2 1-[2-(heterocyclyl-aminomethyl)-piperidin-1-YL]-1-(2-methyl-5-phenyl-heterocyclyl)-methanone derivatives and related compounds as orexin-1 antagonists for the treatment of obesity SMITHKLINE BEECHAM PLC (GB) 2008-08-13 EP disclosed
EP-1385845-B1 N-AROYL CYCLIC AMINES SMITHKLINE BEECHAM PLC (GB) 2008-01-09 EP disclosed
US-6927214-B1 Non-peptide GLP-1 agonists NOVO NORDISK A/S (DK) 2005-08-09 US disclosed
EP-1147094-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2001-10-24 EP disclosed
WO-2000042026-A1 NON-PEPTIDE GLP-1 AGONISTS NOVO NORDISK A/S (DK) 2000-07-20 WO disclosed