SCHEMBL9711602

SCHEMBL9711602

N#Cc1ccc(C(=O)C2C(=O)CCNC2=O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.46
VCAM1 P19320 2/20 0.43
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KAT2B Q92831 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
ESRRA P11474 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL9711540 0.84 HPD (0.49) HPDMAPTMAPK1KMT2AMEN1
SCHEMBL9711516 0.83 HPD (0.48) HPDMAPTKMT2AMEN1LMNA
SCHEMBL9711707 0.83 HPD (0.48) HPDMAPTKMT2AMEN1LMNA
SCHEMBL9711660 0.83 HPD (0.51) HPDMAPTTDP1
SCHEMBL9711711 0.83 HPD (0.48) HPDMAPTMAPK1PKM
SCHEMBL9711634 0.81 HPD (0.40) HPDVCAM1MAPTMAPK1TDP1
SCHEMBL9711616 0.81 HPD (0.46) HPDMAPTMAPK1KMT2AMEN1
SCHEMBL9711453 0.81 HPD (0.73) HPDMAPTMAPK1KMT2AMEN1
SCHEMBL8467136 0.81 HPD (0.46) HPDMAPTMAPK1KMT2AMEN1
SCHEMBL9711538 0.81 HPD (0.46) HPDMAPTMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed