SCHEMBL6201292

SCHEMBL6201292

COc1ccc(C#CCON)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.55
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
KCNH2 Q12809 1/20 0.43
GRM5 P41594 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 1/20 0.42
MCHR1 Q99705 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.39
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL7227554 0.98 APP (0.53) APPIDO1AGXTKCNH2GRM5
SCHEMBL9834499 0.84 APP (0.53) APPKCNH2GRM5CHRM2CHRM1
SCHEMBL7573542 0.80 APP (0.59) APPIDO1AGXTKCNH2CA12
SCHEMBL7703789 0.79 CHRM2 (0.54) IDO1AGXTGRM5CHRM2CHRM1
Hydrochloric Acid SCHEMBL21803723 0.78 APP (0.57) APPIDO1AGXTKCNH2CA12
SCHEMBL10102350 0.78 APP (0.55) APPIDO1KCNH2CA12CA1
SCHEMBL1443828 0.77 APP (0.55) APPKCNH2CA12CA1CA2
SCHEMBL10300057 0.76 APP (0.77) APPKCNH2CA12CA1CA2
SCHEMBL674764 0.76 APP (0.77) APPKCNH2CA12CA1CA2
SCHEMBL6168268 0.76 APP (0.59) APPKCNH2CA12CA1CA2

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
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed