SCHEMBL29404601

SCHEMBL29404601

O=[N+]([O-])c1ccccc1-[n+]1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.69
RAB9A P51151 2/20 0.69
ATM Q13315 1/20 0.69
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ACHE P22303 1/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 5/20 0.37
TSHR P16473 2/20 0.37
PDE10A Q9Y233 1/20 0.37
GPR35 Q9HC97 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
Hydrochloric Acid SCHEMBL22345164 0.82 RAB9A (1.00) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL16470545 0.77 ALDH1A1 (0.47) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL29403978 0.77 ALDH1A1 (0.47) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL29403936 0.70 ALDH1A1 (0.44) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL16470356 0.70 ALDH1A1 (0.44) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL29401695 0.69 ACHE (0.56) NPC1RAB9AATMKMT2AMEN1
SCHEMBL16469945 0.69 ACHE (0.56) NPC1RAB9AATMKMT2AMEN1
SCHEMBL16469714 0.69 ACHE (0.46) NPC1RAB9AATMALDH1A1KMT2A
SCHEMBL10814020 0.67 BCHE (0.46) NPC1RAB9AATMACHE
SCHEMBL22566 0.66 HSD17B10 (0.67) NPC1RAB9AALDH1A1KMT2AMEN1

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
CN-109554122-B Curing adhesive for polarizing film, optical film, and image display device 日东电工株式会社 2022-03-01 CN disclosed