SCHEMBL7328964

SCHEMBL7328964

CNc1ccc(I)cc1C(=O)NCC(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.38
MAP2K2 P36507 3/20 0.38
PRKCZ Q05513 1/20 0.38
IARS2 Q9NSE4 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
PTPRC P08575 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPRA P18433 1/20 0.34
PTPRB P23467 1/20 0.34
PTPRE P23469 1/20 0.34
PTPN6 P29350 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KCNA3 P22001 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6392924 0.78 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6223409 0.76 KDM4E (0.58) POLBKDM4EATMPTPRCPTPN2
SCHEMBL7321127 0.74 ALDH1A1 (0.36) MAP2K1POLBKDM4EATMPTPRC
SCHEMBL7323307 0.73 CYP1A2 (0.39) MAP2K1MAP2K2KDM4EMAPTSMN1; SMN2
SCHEMBL8959409 0.73 NPSR1 (0.40) MAP2K1MAP2K2PTPRCPTPN2PTPN1
SCHEMBL7330770 0.72 THRB (0.36) MAP2K1MAP2K2TP53POLBKDM4E
SCHEMBL7325460 0.71 PTPRC (0.38) MAP2K1MAP2K2POLBKDM4EPTPRC
SCHEMBL8358446 0.69 HDAC1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL2384775 0.69 PTPRC (0.64) MAP2K1MAP2K2KDM4EPTPRCPTPN2
SCHEMBL31373229 0.69 MEN1 (0.45) TP53POLBKDM4ENPC1MAPT

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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed