SCHEMBL7325925

SCHEMBL7325925

CCOC(=O)CC(c1ccccc1)N1C(=O)c2cc(C#Cc3ccc([N+](=O)[O-])cc3)ccc2N(Cc2ccccc2)C(=O)C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MDM2 Q00987 3/20 0.39
CASP3 P42574 2/20 0.39
CASP1 P29466 1/20 0.39
CASP4 P49662 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
APP P05067 4/20 0.36
SNCA P37840 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL7324695 0.92 CASP3 (0.40) MAPTLMNAMDM2CASP3CASP1
SCHEMBL7332414 0.90 LMNA (0.43) MAPTLMNAKDM4EMDM2CASP3
SCHEMBL7331657 0.89 LMNA (0.42) MAPTLMNAKDM4EMDM2CASP3
SCHEMBL7330122 0.89 MAPT (0.42) MAPTLMNAKDM4EMDM2CASP3
SCHEMBL7334461 0.87 MDM2 (0.39) MAPTMDM2ALDH1A1
SCHEMBL7325175 0.84 MDM2 (0.40) MAPTMDM2ALDH1A1
SCHEMBL7325707 0.84 MAPT (0.43) MAPTLMNAKDM4ECASP3CASP1
SCHEMBL7328999 0.83 MDM2 (0.51) MDM2
SCHEMBL7322818 0.82 CASP3 (0.38) MAPTLMNAKDM4EMDM2CASP3
SCHEMBL7323400 0.81 CASP3 (0.38) MAPTLMNAKDM4EMDM2CASP3

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-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