SCHEMBL7329704

SCHEMBL7329704

CCOC(=O)CC(NC(=O)c1cc(I)ccc1NCc1ccccc1)c1cccc(C(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
KCNK3 O14649 1/20 0.40
F10 P00742 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
ROCK2 O75116 1/20 0.39
NPC1 O15118 1/20 0.39
HIF1A Q16665 1/20 0.38
ATM Q13315 1/20 0.38
HTR6 P50406 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL8959414 0.91 MAPT (0.44) MAPTMAPK1LMNAKCNK3HIF1A
SCHEMBL7328034 0.90 ALDH1A1 (0.42) MAPTMAPK1KDM4EALDH1A1LMNA
SCHEMBL7356190 0.88 CDC25B (0.43) MAPTKDM4EALDH1A1LMNAF10
SCHEMBL7326911 0.88 ROCK2 (0.44) MAPTKDM4EALDH1A1LMNAF10
SCHEMBL7332244 0.86 ALDH1A1 (0.41) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL7326648 0.83 ALDH1A1 (0.47) MAPTKDM4EALDH1A1LMNAF10
SCHEMBL7334505 0.82 PPID (0.40) MAPTKDM4EALDH1A1LMNAALOX15
SCHEMBL9318974 0.79 CYP26A1 (0.44) MAPTLMNAROCK2
SCHEMBL7332776 0.79 ALDH1A1 (0.44) KDM4EALDH1A1LMNAKCNK3F10
SCHEMBL7334667 0.77 ALDH1A1 (0.43) KDM4EALDH1A1LMNAKCNK3F10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
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