SCHEMBL7332173

SCHEMBL7332173

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#Cc3cccc(C#N)c3)ccc2N(C(C)C)C(=O)C1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.37
MDM2 Q00987 7/20 0.36
TP53 P04637 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GRM5 P41594 3/20 0.33
ELANE P08246 2/20 0.33
CYP1A2 P05177 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MGLL Q99685 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR1 O14842 1/20 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
SCHEMBL7330551 0.92 MDM2 (0.36) TNFMDM2TP53GABRA1GABRG2
SCHEMBL7325198 0.91 MDM2 (0.37) TNFMDM2TP53GABRA1GABRG2
SCHEMBL7318695 0.90 TNF (0.36) TNFMDM2TP53GRM5PDCD1
SCHEMBL7321448 0.90 ELANE (0.38) TNFMDM2TP53GABRA1GABRG2
SCHEMBL7333749 0.88 MDM2 (0.36) MDM2
SCHEMBL7334461 0.88 MDM2 (0.39) TNFMDM2TP53GABRA1GABRG2
SCHEMBL7330122 0.87 MAPT (0.42) TNFMDM2KDM4EALDH1A1
SCHEMBL7331467 0.84 MDM2 (0.38) MDM2TP53GABRA1GABRG2GABRB3
SCHEMBL7333200 0.83 MDM2 (0.42) MDM2TP53
SCHEMBL7326303 0.83 MDM2 (0.35) TNFMDM2TP53GABRA1GABRG2

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 6 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
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