SCHEMBL2933889

SCHEMBL2933889

CC(=O)Nc1cc(N)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.48
MAPT P10636 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 7/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
ALDH3A1 P30838 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42

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
SCHEMBL988797 0.89 LMNA (0.44) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL988796 0.89 LMNA (0.44) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL8423468 0.84 GPR35 (0.54) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL5310380 0.84 HTT (0.55) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL988023 0.81 ALDH1A1 (0.60) HTTALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL29674877 0.79 HTT (0.66) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL3911774 0.79 HTT (0.66) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL4271625 0.79 HTT (0.61) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL13987767 0.79 KMT2A (0.53) HTTALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL27303263 0.78 HTT (0.59) HTTALDH1A1MAPTTDP1SMN1; SMN2

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
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed