SCHEMBL11470567

SCHEMBL11470567

Cc1ccccc1-c1ccc(=O)[nH]c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GRIA1 P42261 1/20 0.44
CACNG8 Q8WXS5 1/20 0.44
MCL1 Q07820 1/20 0.40
TRPA1 O75762 1/20 0.39
BRD4 O60885 1/20 0.39
NOTUM Q6P988 1/20 0.39
PRMT5 O14744 1/20 0.38

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
SCHEMBL11168656 0.77 PTPRC (0.49) KDM4EALDH1A1MAPTTHRBL3MBTL1
SCHEMBL3164860 0.77 ALDH1A1 (0.48) KDM4EALDH1A1MAPTTHRBL3MBTL1
SCHEMBL10900077 0.77 CYP2A6 (0.48) KDM4EALDH1A1MAPTTHRBL3MBTL1
SCHEMBL13575388 0.77 PTPRC (0.53) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL11447916 0.75 MKNK1 (0.50) KDM4EALDH1A1MAPTTHRBL3MBTL1
SCHEMBL29551674 0.73 CA12 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL3633054 0.73 CA12 (0.61) ALDH1A1CA12CA1CA2CA9
SCHEMBL11159194 0.73 PDE3B (0.47) PDE3BPDE3ATRPA1NOTUMPPARG
SCHEMBL26986890 0.73 ESR2 (0.51) KDM4EALDH1A1MCL1TRPA1
SCHEMBL21904914 0.73 L3MBTL1 (0.48) KDM4EALDH1A1MAPTL3MBTL1MEN1

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
US-4242515-A Substituted 3-alkyl-6-phenyl-1,2,4-triazolo-[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-12-30 US disclosed
EP-0017438-A1 Substituted 3-alkyl-6-phenyl-1,2,4-triazolo(4,3-a)pyridines, processes for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1980-10-15 EP disclosed
US-4209626-A Substituted 6-phenyl-1,2,4-triazolo[4,3-a]pyridines AMERICAN CYANAMID COMPANY (US) 1980-06-24 US disclosed