SCHEMBL7306663

SCHEMBL7306663

CCCc1nc2ccnn2c(N2CCOCC2)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
DPP4 P27487 1/20 0.39
SLC33A1 O00400 2/20 0.38
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MERTK Q12866 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LRRK2 Q5S007 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35

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
SCHEMBL9263270 0.92 DPP4 (0.43) PPARGDPP4SLC33A1AXLFLT3
SCHEMBL9262231 0.84 PPARG (0.46) PPARGSLC33A1AXLFLT3MERTK
SCHEMBL7313123 0.83 ALDH1A1 (0.46) PPARGKDM4EHPGDLMNANPC1
SCHEMBL7312739 0.83 PPARG (0.45) PPARGAXLFLT3MERTKACHE
SCHEMBL7320243 0.83 PPARG (0.47) PPARGAXLFLT3MERTKACHE
SCHEMBL7319487 0.83 PPARG (0.45) PPARGAXLFLT3MERTKACHE
SCHEMBL9260186 0.81 PPARG (0.43) PPARGAXLFLT3MERTKACHE
Hydrochloric Acid SCHEMBL7317120 0.81 SLC33A1 (0.40) SLC33A1
SCHEMBL7316719 0.81 PPARG (0.43) PPARGAXLFLT3MERTKACHE
SCHEMBL7309810 0.78 ALDH1A1 (0.38) PPARGAXLFLT3MERTKKDM4E

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
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed
US-5231094-A Cardiovascular disorders SOCIETE ANONYME: LABORATOIRES UPSA (FR) 1993-07-27 US disclosed