SCHEMBL7325216

SCHEMBL7325216

O=C(O)c1cc([N+](=O)[O-])ccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 4/20 0.83
▸ CTSV O60911 3/20 0.70
▸ CTSL P07711 3/20 0.70
▸ MAPT P10636 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ GRIK1 P39086 1/20 0.67
▸ AKR1C3 P42330 5/20 0.64
▸ AKR1C2 P52895 5/20 0.64
▸ KIF11 P52732 1/20 0.63
▸ TRPV1 Q8NER1 1/20 0.59
▸ AKR1B1 P15121 1/20 0.58
▸ AKR1C4 P17516 1/20 0.58
▸ AKR1C1 Q04828 1/20 0.58
▸ FBP1 P09467 1/20 0.57
▸ MYC P01106 1/20 0.54
▸ MAX P61244 1/20 0.54

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
SCHEMBL1463066 0.87 GRIK1 (0.84) MPOCTSVCTSLMAPTMEN1
SCHEMBL4249335 0.86 CTSV (0.71) MPOCTSVCTSLMAPTMEN1
SCHEMBL354532 0.83 CTSV (1.00) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL5344962 0.81 CTSV (0.76) MPOCTSVCTSLMAPTMEN1
SCHEMBL3026731 0.81 CTSV (0.76) MPOCTSVCTSLMAPTMEN1
SCHEMBL3028534 0.81 CTSV (0.76) MPOCTSVCTSLMAPTMEN1
SCHEMBL23691075 0.81 MPO (0.76) MPOMEN1KMT2AGRIK1AKR1C3
SCHEMBL31207343 0.81 MPO (0.61) MPOCTSVCTSLMAPTMEN1
SCHEMBL21068140 0.81 MPO (0.61) MPOCTSVCTSLMAPTMEN1
SCHEMBL21068139 0.81 MPO (0.61) MPOCTSVCTSLMAPTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 — — US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 — — US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 — — US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 — — US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 — — EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 — — EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 — — WO disclosed
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