SCHEMBL7326575

SCHEMBL7326575

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(c2ccccc2)c2ccc(CCCOc3cc(C)nc(NC(=O)OC(C)(C)C)n3)cc2C1=O

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASR P41180 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
SCHEMBL7324997 0.93 CASR (0.32) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7331085 0.93 MEN1 (0.32) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7322383 0.92 MEN1 (0.31) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7323213 0.91 EDNRB (0.32) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7321719 0.87 GABRA1 (0.32)
SCHEMBL7329444 0.86
SCHEMBL7325984 0.84 MEN1 (0.36) MEN1KMT2AMAPT
SCHEMBL7331213 0.83 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7326194 0.83 PDCD1 (0.37) MEN1KMT2AMAPTGAA
SCHEMBL7324165 0.83 ITGB3 (0.35)

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
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