SCHEMBL7356469

SCHEMBL7356469

CCCCCNc1ccc([N+](=O)[O-])cc1C(=O)NCCC(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.62
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 9/20 0.48
KMT2A Q03164 7/20 0.48
MAPK1 P28482 3/20 0.48
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.46
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46
TRPA1 O75762 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CDK2 P24941 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL9318401 0.87 KMT2A (0.52) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL7326342 0.82 CTSV (0.58) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL7331325 0.80 MEN1 (0.51) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL7322786 0.79 CTSV (0.62) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL3843127 0.79 KMT2A (0.71) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL27557742 0.78 MAPT (0.60) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL11318826 0.78 KMT2A (0.70) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL7371656 0.78 KMT2A (0.70) MAPTALDH1A1KMT2AMAPK1MEN1
SCHEMBL6253809 0.78 MAPT (0.72) MAPTKDM4EALDH1A1KMT2AMAPK1
SCHEMBL7325535 0.78 MAPT (0.48) MAPTKDM4EALDH1A1KMT2AMAPK1

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 4 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
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed