SCHEMBL9250123

SCHEMBL9250123

COCc1nc2ncnn2c(O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MBOAT4 Q96T53 4/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA2 P47869 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
PPARG P37231 2/20 0.36
ENPP1 P22413 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP19A1 P11511 2/20 0.34
SLC33A1 O00400 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
SCHEMBL9254113 0.90 PPARG (0.39) ESR2EGLN1MBOAT4FFAR1AKR1B1
SCHEMBL9255943 0.89 EGLN1 (0.46) ESR2EGLN1MBOAT4FFAR1AKR1B1
SCHEMBL7313334 0.88 PPARG (0.44) ESR2MBOAT4GABRA1GABRG2GABRB3
SCHEMBL9249469 0.85 ENPP1 (0.47) MBOAT4GABRA1GABRG2GABRB3GABRA2
SCHEMBL9254089 0.85 ESR2 (0.39) ESR2EGLN1MBOAT4FFAR1AKR1B1
Diethylamine SCHEMBL9256428 0.85 PPARG (0.42) MBOAT4PPARGENPP1SLC33A1
SCHEMBL9258548 0.84 ESR2 (0.40) ESR2EGLN1FFAR1AKR1B1PPARG
SCHEMBL9253540 0.80 USP2 (0.42) ESR2MBOAT4GABRA1GABRG2GABRB3
SCHEMBL9253827 0.78 PPARG (0.41) ESR2EGLN1MBOAT4FFAR1AKR1B1
SCHEMBL9254569 0.78 ESR2 (0.40) ESR2EGLN1MBOAT4FFAR1AKR1B1

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
US-5387747-A Used in the treatment and prevention of cardiovascular diseases: hypertension, cardiac insufficiency and atherosclerosis LABORATOIRES UPSA (FR) 1995-02-07 US disclosed