SCHEMBL6201361

SCHEMBL6201361

C#CC(ON)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
AGXT P21549 2/20 0.34
ACHE P22303 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
ALOX5 P09917 1/20 0.32
TEAD4 Q15561 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30

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 SCHEMBL7234552 0.98 AGXT (0.36) CHRNA7AGXTACHETDP1IDO1
SCHEMBL6203275 0.79 IDO1 (0.54) AGXTIDO1TDO2ESR1ESR2
SCHEMBL6202004 0.78 IDO1 (0.42) IDO1TDO2
SCHEMBL6202821 0.78 IDO1 (0.42) IDO1TDO2
SCHEMBL6203172 0.78 IDO1 (0.42) IDO1TDO2
Hydrochloric Acid SCHEMBL7227150 0.78 IDO1 (0.55) AGXTIDO1TDO2ALDH1A1LMNA
Hydrochloric Acid SCHEMBL7227164 0.77 IDO1 (0.44) IDO1TDO2
Hydrochloric Acid SCHEMBL7227095 0.77 IDO1 (0.44) IDO1TDO2
SCHEMBL6203379 0.76 CYP19A1 (0.38) ALDH1A1
SCHEMBL27515157 0.75 CHRNA7 (0.32) CHRNA7

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