SCHEMBL7324461

SCHEMBL7324461

CCOC(=O)CCN1CC(=O)N(C(c2ccccc2)c2ccccc2)c2cc(I)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.37
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL7331430 0.93 PTPN1 (0.35) TNFPTPN1KDM4EALOX15TSHR
SCHEMBL7399103 0.88 KDM4E (0.41) TNFPTPN1KDM4EALOX15TSHR
SCHEMBL8959460 0.79 KDM4E (0.47) KDM4EALOX15TSHRSIRT1ALDH1A1
SCHEMBL7332495 0.78 ALDH1A1 (0.40) TNFKDM4EALOX15TSHRSIRT1
SCHEMBL7330449 0.78 TPSAB1 (0.40) ALDH1A1MEN1KMT2ANAMPTCYP3A4
SCHEMBL7325381 0.77 ITGB3 (0.46) TNFTSHRALDH1A1MEN1KMT2A
SCHEMBL7333036 0.74 KDM4E (0.44) TNFKDM4EALOX15TSHRSIRT1
SCHEMBL7325740 0.73 SIGMAR1 (0.39) MEN1KMT2ANAMPTCYP3A4CYP2D6
SCHEMBL7327440 0.73 TPSAB1 (0.40) MEN1KMT2ANAMPTCYP3A4CYP2D6
SCHEMBL7333421 0.73 TPSAB1 (0.40) MEN1KMT2ANAMPTCYP3A4CYP2D6

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 9 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
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