SCHEMBL7323007

SCHEMBL7323007

CCOC(=O)CC(NC(=O)c1cc(I)cc(N)c1-c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 2/20 0.42
DCAF1 Q9Y4B6 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TACR2 P21452 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP26A1 O43174 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
SCHEMBL7329570 0.89 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL7332779 0.89 ALDH1A1 (0.44) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7334670 0.86 TACR3 (0.44) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7335381 0.85 ALDH1A1 (0.49) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7328040 0.84 ALDH1A1 (0.42) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7332776 0.78 ALDH1A1 (0.44) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7334667 0.76 ALDH1A1 (0.43) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7323000 0.76 ALDH1A1 (0.43) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL7328034 0.75 ALDH1A1 (0.42) TACR3ALDH1A1LMNAKDM4EMEN1
SCHEMBL4824242 0.74 TACR3 (0.53) TACR3LMNAMEN1KMT2ADCAF1

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 9 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
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed