SCHEMBL8699446

SCHEMBL8699446

OC/C=C(/c1ccccc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 19/20 0.68
TBXA2R P21731 1/20 0.60

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
SCHEMBL8699447 1.00 TBXAS1 (0.68) TBXAS1TBXA2R
SCHEMBL11281216 0.87 CYP3A4 (0.70) TBXAS1
SCHEMBL11136755 0.87 TBXAS1 (0.54) TBXAS1TBXA2R
SCHEMBL11281219 0.87 CYP3A4 (0.70) TBXAS1
SCHEMBL11136754 0.87 TBXAS1 (0.54) TBXAS1TBXA2R
SCHEMBL27814394 0.84 TBXAS1 (0.63) TBXAS1TBXA2R
SCHEMBL6419179 0.83 CYP19A1 (0.55) TBXAS1TBXA2R
SCHEMBL6419131 0.83 CYP19A1 (0.55) TBXAS1TBXA2R
SCHEMBL4630812 0.82 MTNR1A (0.48) TBXAS1
SCHEMBL14288486 0.81 TBXAS1 (0.68) TBXAS1TBXA2R

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-5773469-A Diaryl antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-06-30 US disclosed