SCHEMBL7327121

SCHEMBL7327121

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCCCCC#N)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 4/20 0.33
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
GAA P10253 1/20 0.31
F10 P00742 1/20 0.31
CASP3 P42574 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL7327913 0.91 MEN1 (0.38) KMT2AMEN1MAPTF2TP53
SCHEMBL7327871 0.91 ITGB3 (0.35) KMT2AMAPTALDH1A1GAACASP3
SCHEMBL7324977 0.89 MEN1 (0.37) KMT2AMEN1MAPTF2TP53
SCHEMBL7324239 0.87 MEN1 (0.37) KMT2AMEN1MAPTTP53POLB
SCHEMBL7324973 0.85 ITGB3 (0.35) KMT2AMEN1MAPTTP53POLB
SCHEMBL7326194 0.85 PDCD1 (0.37) KMT2AMEN1MAPTGAA
SCHEMBL8842910 0.84 MEN1 (0.34) KMT2AMEN1MAPT
SCHEMBL7326117 0.83 MAPT (0.31) MAPTF2F10
SCHEMBL7329828 0.82 KMT2A (0.39) KMT2AMEN1MAPTTP53POLB
SCHEMBL7330816 0.81 MEN1 (0.33) KMT2AMEN1MAPTGAACASP3

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
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