SCHEMBL7323036

SCHEMBL7323036

CCOC(=O)CCNC(=O)c1cc(OCc2ccc(C#N)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
RAB9A P51151 1/20 0.43
SMPD1 P17405 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
HPGD P15428 1/20 0.38
TNF P01375 1/20 0.37

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
SCHEMBL9317937 0.88 SMPD1 (0.46) MAPTRAB9ASMPD1MEN1KMT2A
SCHEMBL7329889 0.87 RAB9A (0.46) MAPTRAB9ASMPD1MAOBSPHK2
SCHEMBL7398973 0.81 RAB9A (0.42) MAPTRAB9ASMPD1MAOBSPHK2
SCHEMBL7324974 0.79 AKR1B1 (0.46) MAPTRAB9ASMPD1MAOBTNF
SCHEMBL7327420 0.78 MAPT (0.52) MAPTRAB9ASMPD1MAOBALDH1A1
SCHEMBL1663248 0.73 MAPT (0.59) MAPTRAB9ASMPD1MAOBCYP3A4
SCHEMBL2309492 0.72 MAPT (0.54) MAPTRAB9AKDM4EALDH1A1
SCHEMBL3929566 0.71 MAPT (0.55) MAPTRAB9AMEN1KMT2AKDM4E
SCHEMBL406494 0.70 GAA (0.49) MAPTMEN1KMT2ATP53SMN1; SMN2
SCHEMBL28134455 0.70 MEN1 (0.57) MAPTMEN1KMT2AMAOB

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