SCHEMBL9493335

SCHEMBL9493335

CCN(CC)c1cc[c]c([N+](=O)[O-])c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.38
HCAR3 P49019 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH3A1 P30838 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
PTBP1 P26599 1/20 0.34
HPGD P15428 2/20 0.33
PGR P06401 2/20 0.33
NR3C1 P04150 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
SCHEMBL5631987 0.76 HSD17B10 (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11502537 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL6635967 0.74 CYP1A2 (0.33) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7380148 0.73 ALDH1A1 (0.37) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL9369721 0.73 FASN (0.39) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL7822062 0.67 ALDH1A1 (0.44) ALDH1A1KMT2AMAPK1SMN1; SMN2RAB9A
SCHEMBL4365845 0.65 ALDH3A1 (0.57) HTTTP53HCAR3ALDH1A1MEN1
SCHEMBL6047870 0.65 ALDH3A1 (0.45) HTTTP53HCAR3ALDH1A1MEN1
SCHEMBL3535919 0.64 ALDH1A1 (0.53) TP53ALDH1A1MEN1KMT2AMAPT
SCHEMBL16559081 0.64 NR3C1 (0.42) HTTALDH1A1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264198-B1 OPTICAL INFORMATION RECORDING MEDIUM CANON KABUSHIKI KAISHA (JP) 1993-03-03 EP disclosed
EP-0264198-A2 Optical information recording medium CANON KABUSHIKI KAISHA (JP) 1988-04-20 EP disclosed