SCHEMBL8107730

SCHEMBL8107730

COc1ccccc1-c1ccc[c]c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
PGR P06401 2/20 0.40
AR P10275 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HTR7 P34969 3/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNN4 O15554 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1191364 0.84 CA1 (0.41) ARALDH1A1KDM4EHPGDTSHR
SCHEMBL2224755 0.78 AR (0.45) APPPGRARALDH1A1KDM4E
SCHEMBL2027163 0.75 APP (0.46) APPALDH1A1KDM4EHPGDHTR7
SCHEMBL4608551 0.75 APP (0.46) APPALDH1A1HPGDHTR7HSD17B10
SCHEMBL10535184 0.75 APP (0.46) APPALDH1A1KDM4EHPGDHTR7
SCHEMBL9381068 0.75 APP (0.42) APPALDH1A1KDM4EHPGDHTR7
SCHEMBL6951096 0.74 ABL1 (0.47) ALDH1A1ADORA2AADORA1
SCHEMBL15637636 0.74 APP (0.44) APPALDH1A1KDM4EHPGDHTR7
SCHEMBL11460691 0.74 APP (0.44) APPALDH1A1HPGDHTR7CA12
SCHEMBL11739704 0.74 APP (0.44) APPALDH1A1HPGDHTR7KCNN4

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-0805795-B1 NOVEL AROMATIC AMIDES, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS PESTICIDES HOECHST SCHERING AGREVO SA (FR) 2000-08-23 EP claimed