SCHEMBL7329583

SCHEMBL7329583

CCOC(=O)CC(C)N1C(=O)c2cc(C#CCCCC#N)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 12/20 0.41
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TRPC5 Q9UL62 1/20 0.33

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
SCHEMBL7325175 0.92 MDM2 (0.40) MDM2MAPTPKMALDH1A1MAPK1
SCHEMBL7331704 0.89 HDAC1 (0.41) MDM2TP53HDAC1HDAC6HDAC3
SCHEMBL7328504 0.89 MDM2 (0.37) MDM2ALDH1A1TP53HDAC1HDAC6
SCHEMBL7335676 0.88 MDM2 (0.36) MDM2MAPTALDH1A1HDAC1HDAC6
SCHEMBL7331084 0.88 MDM2 (0.41) MDM2MAPTPKMALDH1A1MAPK1
SCHEMBL7329383 0.87 MAPT (0.38) MDM2MAPTPKMALDH1A1MAPK1
SCHEMBL7323083 0.87 MDM2 (0.38) MDM2ALDH1A1HDAC1HDAC6HDAC3
SCHEMBL7324695 0.84 CASP3 (0.40) MDM2MAPTALDH1A1
SCHEMBL7323174 0.83 MAPT (0.38) MDM2MAPTPKMALDH1A1MAPK1
SCHEMBL7333413 0.83 MDM2 (0.51) MDM2TP53

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-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