SCHEMBL25855135

SCHEMBL25855135

Cc1cc(F)cc(OC#N)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.32
EPAS1 Q99814 2/20 0.32
RAPGEF4 Q8WZA2 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
VEGFA P15692 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
SCHEMBL22926458 0.84 CA12 (0.33) EPAS1VEGFA
SCHEMBL11866357 0.84 ALDH1A1 (0.41) ACHEALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11655084 0.84 ALDH1A1 (0.36) ACHEALDH1A1CYP3A4TSHRMAPK1
SCHEMBL97382 0.79 ALDH1A1 (0.34) ACHERAPGEF4ALDH1A1CYP3A4TSHR
SCHEMBL24750280 0.75 KCNH2 (0.43) ALDH1A1VEGFA
SCHEMBL14219221 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRMAPK1TDP1
SCHEMBL11710182 0.75 ALDH1A1 (0.48) ACHEALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11885 0.73 ALDH1A1 (0.48) ACHERAPGEF4ALDH1A1CYP3A4TSHR
SCHEMBL10289870 0.72 KAT6A (0.38) ACHERAPGEF4ALDH1A1
SCHEMBL13316887 0.71 ALDH1A1 (0.45) ACHEEPAS1RAPGEF4ALDH1A1CYP3A4

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
WO-2023131677-A1 COMPOUNDS CONTAINING A HYDROXYPHENYL MOIETY AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-07-13 WO disclosed