SCHEMBL7326153

SCHEMBL7326153

CC(CC(=O)OC(=O)C(F)(F)F)N1C(=O)c2cc(C#CCCOc3cccnc3N)ccc2N(C)C(=O)C1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 12/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MDM2 Q00987 2/20 0.33
ITGB3 P05106 2/20 0.31
ITGA2B P08514 2/20 0.31

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
SCHEMBL7328917 0.93 RIPK1 (0.34) RIPK1HDAC1HDAC6HDAC3HDAC4
SCHEMBL7332013 0.93 MDM2 (0.32) RIPK1MDM2
SCHEMBL7326458 0.92 MDM2 (0.32) RIPK1MDM2
SCHEMBL8959416 0.88 MDM2 (0.32) MDM2
SCHEMBL7322615 0.87 MDM2 (0.32) RIPK1MDM2
SCHEMBL7329461 0.85 HDAC1 (0.40) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7327292 0.85
SCHEMBL7332466 0.84 MDM2 (0.34) RIPK1MDM2
SCHEMBL7326061 0.84 ITGB3 (0.45) RIPK1HDAC1HDAC6ITGB3ITGA2B
SCHEMBL7323120 0.81 MDM2 (0.40) RIPK1MDM2

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