SCHEMBL7913072

SCHEMBL7913072

CCN(CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.63
MEN1 O00255 9/20 0.63
HTT P42858 7/20 0.63
MAPT P10636 6/20 0.63
POLB P06746 3/20 0.63
DDX3X O00571 2/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
ALDH1A1 P00352 2/20 0.60
PKM P14618 1/20 0.60
BAZ1A Q9NRL2 1/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 1/20 0.54
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL7919379 0.86 POLB (0.76) KMT2AMEN1HTTMAPTPOLB
SCHEMBL27406416 0.85 MEN1 (0.67) KMT2AMEN1HTTMAPTPOLB
SCHEMBL30858683 0.85 MEN1 (0.67) KMT2AMEN1HTTMAPTPOLB
SCHEMBL27941581 0.83 SMN1; SMN2 (0.69) KMT2AMEN1HTTMAPTPOLB
SCHEMBL9170568 0.82 EPHX1 (0.67) KMT2AMEN1HTTMAPTPOLB
SCHEMBL6297225 0.82 MEN1 (0.70) KMT2AMEN1HTTMAPTPOLB
SCHEMBL3220438 0.81 KMT2A (0.66) KMT2AMEN1HTTMAPTPOLB
SCHEMBL6297847 0.80 KMT2A (0.67) KMT2AMEN1HTTMAPTPOLB
SCHEMBL5152659 0.80 MEN1 (0.67) KMT2AMEN1HTTMAPTPOLB
SCHEMBL6152067 0.80 CNR1 (0.52) KMT2AMEN1HTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207809-B1 CATALYTIC HYDROGENATION USING THE CORRESPONDING NITRO COMPOUND CLARIANT GMBH (DE) 2001-03-27 US disclosed