SCHEMBL7329570

SCHEMBL7329570

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 3/20 0.36
THRB P10828 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRM6 O15303 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC1 Q13547 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
SCHEMBL7323007 0.89 TACR3 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7334509 0.84 POLB (0.40) ALDH1A1HPGDSMN1; SMN2RAB9AMEN1
SCHEMBL7331590 0.81 THRB (0.34) ALDH1A1MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL7332298 0.81 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7332779 0.77 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7334670 0.76 TACR3 (0.44) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL7329567 0.76 ATM (0.40) ALDH1A1MAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL7328040 0.75 ALDH1A1 (0.42) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL13469329 0.75 MEN1 (0.49) ALDH1A1HPGDSMN1; SMN2HSD17B10MEN1
SCHEMBL7334505 0.74 PPID (0.40) ALDH1A1HPGDMAPTSMN1; SMN2RAB9A

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