SCHEMBL7326616

SCHEMBL7326616

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCC(=O)NCC(N)C(=O)OC(C)(C)C)cc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 4/20 0.32
NR1H2 P55055 1/20 0.32
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
CCR3 P51677 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL7325806 0.92 MEN1 (0.34) MEN1KMT2AMAPTNR1H2TP53
SCHEMBL7329981 0.92 NR1H2 (0.34) NR1H2ALDH1A1GAA
SCHEMBL7330824 0.91 NR1H2 (0.33) MEN1KMT2AMAPTNR1H2TP53
SCHEMBL7333894 0.90 HDAC1 (0.35) MEN1KMT2AMAPTNR1H2TP53
SCHEMBL7327994 0.85 NR1H2 (0.31) NR1H2
SCHEMBL7332766 0.85 ITGB3 (0.35) MAPTGAA
SCHEMBL7326194 0.83 PDCD1 (0.37) MEN1KMT2AMAPTGAA
SCHEMBL7328014 0.82 HDAC1 (0.36) NR1H2POLB
SCHEMBL8842848 0.82 PDCD1 (0.38) MEN1KMT2AMAPTTP53GAA
SCHEMBL7330636 0.81 ITGB3 (0.39) NR1H2

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 5 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed