SCHEMBL7329007

SCHEMBL7329007

CCOC(=O)CCN1CC(=O)N(c2ccc(OC)cc2)c2ccc(I)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
PPARG P37231 1/20 0.35
TNF P01375 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL7326762 0.90 AGTR1 (0.39) ALDH1A1SMN1; SMN2HTTPOLBLMNA
SCHEMBL7332495 0.90 ALDH1A1 (0.40) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL7332551 0.87 PPARD (0.41) ALDH1A1MEN1KMT2APPARGTNF
SCHEMBL7328979 0.85 HDAC6 (0.41) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL7330759 0.84 ITGB3 (0.44) ALDH1A1SMN1; SMN2HTTTNFMAPT
SCHEMBL7325381 0.83 ITGB3 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ATNF
SCHEMBL7334083 0.78 TPSAB1 (0.37) MEN1KMT2AMAPTKDM4E
SCHEMBL7323943 0.76 CHRM5 (0.40) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL7330736 0.76 CNR1 (0.36) ALDH1A1MEN1KMT2ANPSR1CA12
SCHEMBL7331430 0.76 PTPN1 (0.35) ALDH1A1MEN1KMT2ATNFMAPT

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