Sugi Predict

Sugi Predict / Compounds / SCHEMBL7320243

SCHEMBL7320243

SCHEMBL7320243

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.47
▸ AXL P30530 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ ACHE P22303 1/20 0.38
▸ GSK3A P49840 1/20 0.37
▸ GSK3B P49841 1/20 0.37

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
SCHEMBL9262231 0.89 PPARG (0.46) PPARGAXLFLT3MERTKGSK3A
SCHEMBL7319487 0.89 PPARG (0.45) PPARGAXLFLT3MERTKACHE
SCHEMBL7312739 0.89 PPARG (0.45) PPARGAXLFLT3MERTKACHE
SCHEMBL9260186 0.87 PPARG (0.43) PPARGAXLFLT3MERTKACHE
SCHEMBL7316719 0.86 PPARG (0.43) PPARGAXLFLT3MERTKACHE
SCHEMBL9254787 0.84 PPARG (0.46) PPARGACHE
SCHEMBL9263270 0.84 DPP4 (0.43) PPARGAXLFLT3MERTKACHE
SCHEMBL7306663 0.83 PPARG (0.41) PPARGAXLFLT3MERTKACHE
SCHEMBL9257925 0.83 PPARG (0.41) PPARGACHEGSK3AGSK3B
SCHEMBL9263013 0.82 AGTR1 (0.40) PPARGAXLFLT3MERTKGSK3A

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