SCHEMBL7325535

SCHEMBL7325535

CCOC(=O)CCNC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
KDM4E B2RXH2 2/20 0.48
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPK1 P28482 3/20 0.43
HTT P42858 3/20 0.42
GAA P10253 2/20 0.41
MPO P05164 1/20 0.41
P2RX1 P51575 1/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
THRB P10828 1/20 0.40

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 0.88 MEN1 (0.51) MAPTKDM4ECTSVCTSLALDH1A1
SCHEMBL7326342 0.88 CTSV (0.58) MAPTKDM4ECTSVCTSLALDH1A1
SCHEMBL7322786 0.87 CTSV (0.62) MAPTKDM4ECTSVCTSLALDH1A1
SCHEMBL7332598 0.85 AKR1C3 (0.43) MAPTMEN1KMT2A
SCHEMBL7356469 0.78 MAPT (0.62) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL4249335 0.76 CTSV (0.71) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL9319038 0.75 CTSV (0.71) MAPTCTSVCTSLALDH1A1MEN1
SCHEMBL26758036 0.74 KCNK2 (0.53) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL716408 0.74 MEN1 (0.61) MAPTKDM4EALDH1A1LMNAMEN1
SCHEMBL27557742 0.73 MAPT (0.60) MAPTKDM4EALDH1A1LMNAKMT2A

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