SCHEMBL9312796

SCHEMBL9312796

[O]c1cccc(C(=O)NCCN2CCOCC2)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.70
CYP2C9 P11712 1/20 0.70
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
EPHX2 P34913 3/20 0.67
POLB P06746 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
CD274 Q9NZQ7 4/20 0.63
HPGD P15428 1/20 0.63
ALDH1A1 P00352 2/20 0.62
HTR1A P08908 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
KCNH2 Q12809 1/20 0.62
ERN1 O75460 1/20 0.61
KDM4E B2RXH2 2/20 0.60
PSMD14 O00487 1/20 0.58
STAMBP O95630 1/20 0.58

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
SCHEMBL9312802 0.87 CYP2C19 (0.71) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL279958 0.86 CYP2C19 (0.72) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL2720343 0.86 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL4572822 0.86 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL29584690 0.86 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL487964 0.85 CD274 (0.84) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
Hydrochloric Acid SCHEMBL7398448 0.85 CYP2C19 (0.67) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL1366895 0.84 CYP2C19 (0.66) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL12514132 0.84 EPHX2 (0.73) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2
SCHEMBL10264071 0.84 CYP2C19 (0.69) CYP2C19CYP2C9CYP1A2CYP2D6EPHX2

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-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed