SCHEMBL7326342

SCHEMBL7326342

CCOC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.58
CTSL P07711 3/20 0.58
MAPT P10636 8/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
KDM4E B2RXH2 3/20 0.52
GFER P55789 2/20 0.46
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKR1C3 P42330 1/20 0.43

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
SCHEMBL7331325 0.90 MEN1 (0.51) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7322786 0.89 CTSV (0.62) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7325535 0.88 MAPT (0.48) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL7322396 0.83 ALDH1A1 (0.45) MAPTLMNAMAPK1ALDH1A1POLB
SCHEMBL7356469 0.82 MAPT (0.62) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL9319038 0.78 CTSV (0.71) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL27557742 0.76 MAPT (0.60) MAPTKMT2AKDM4ELMNAMAPK1
SCHEMBL716408 0.75 MEN1 (0.61) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL9850124 0.75 CTSV (0.79) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL354532 0.75 CTSV (1.00) CTSVCTSLMAPTMEN1KMT2A

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