SCHEMBL7322786

SCHEMBL7322786

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.62
CTSL P07711 2/20 0.62
MAPT P10636 10/20 0.53
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
HSP90AA1 P07900 1/20 0.49
PKM P14618 1/20 0.49
PAX8 Q06710 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.44

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 0.89 MEN1 (0.51) CTSVCTSLMAPTALDH1A1MAPK1
SCHEMBL7326342 0.89 CTSV (0.58) CTSVCTSLMAPTALDH1A1MAPK1
SCHEMBL9319038 0.88 CTSV (0.71) CTSVCTSLMAPTALDH1A1MAPK1
SCHEMBL7325535 0.87 MAPT (0.48) CTSVCTSLMAPTALDH1A1MAPK1
SCHEMBL7322908 0.84 PTGS2 (0.43) CTSVCTSLMAPTALDH1A1MEN1
SCHEMBL7356469 0.79 MAPT (0.62) MAPTALDH1A1MAPK1TDP1MEN1
SCHEMBL7331118 0.78 CTSV (1.00) CTSVCTSLMAPTALDH1A1MAPK1
SCHEMBL27557742 0.74 MAPT (0.60) MAPTALDH1A1MAPK1TDP1KMT2A
SCHEMBL9404796 0.74 MAPT (0.63) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL716408 0.73 MEN1 (0.61) MAPTALDH1A1MEN1KMT2ANPC1

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 6 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed