SCHEMBL6200840

SCHEMBL6200840

C=CCC(ON)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
CYP2C19 P33261 1/20 0.47
IDO1 P14902 7/20 0.41
TDO2 P48775 5/20 0.41
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
HTR2A P28223 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
IDO2 Q6ZQW0 1/20 0.35
TSHR P16473 2/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL18236072 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19IDO1TDO2ALDH1A1
Hydrochloric Acid SCHEMBL7234524 0.98 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19IDO1TDO2ALDH1A1
SCHEMBL939842 0.83 CYP2C19 (0.50) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL8680427 0.83 CYP2C19 (0.50) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
Methane SCHEMBL28626702 0.82 CYP2C19 (0.48) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL28422465 0.80 CYP2C19 (0.47) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL369647 0.80 CYP2C19 (0.47) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL27547164 0.80 CYP2C19 (0.52) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL7760225 0.78 CYP2C19 (0.46) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL27816063 0.78 SLC6A4 (0.50) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT

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
EP-1266887-B1 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-17 EP disclosed
CN-1390834-A Indenoindolone compounds, their preparation and medicinal compositions containing them SEUVILE LAB (FR) 2003-01-15 CN disclosed
EP-1266887-A2 Indenoindoline derivatives, their process of preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed