SCHEMBL7012364

SCHEMBL7012364

O=C(C[N+](=O)[O-])OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CPA1 P15085 3/20 0.46
LMNA P02545 3/20 0.46
HCAR2 Q8TDS4 1/20 0.46
RAB9A P51151 2/20 0.46
CDC25B P30305 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
CCR6 P51684 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
Benzyl Alcohol SCHEMBL11054940 0.94 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL28262785 0.83 TDP1 (0.56) ALDH1A1MAPK1L3MBTL1TDP1CPA1
SCHEMBL19618994 0.83 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL9548371 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL8377213 0.80 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL10968235 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL28297445 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL28145122 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL3163836 0.78 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1KMT2ATDP1
SCHEMBL28948213 0.78 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104370746-B A kind of cost-effective preparation method to nitrobenzyl alcohol 河南师范大学 2016-08-17 CN disclosed
CN-104370746-A Cost-saving preparation method of p-nitrobenzyl alcohol UNIV HENAN NORMAL 2015-02-25 CN disclosed
CN-101213491-B Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES 2011-09-14 CN disclosed
CN-101213491-A Photosensitive resin composition and adhesion enhancer TORAY INDUSTRIES (JP) 2008-07-02 CN disclosed
EP-0285671-B1 PYRIDINE DERIVATIVES ASAHI CHEMICAL IND (JP) 2003-09-03 EP disclosed
US-5126448-A Anxiolytic agents, learning enhancement ASAHI KASEI KOGYO K.K. (JP) 1992-06-30 US disclosed
EP-0285671-A1 PYRIDINE DERIVATIVES Asahi Kasei Kabushiki Kaisha (JP) 1988-10-12 EP disclosed
EP-0080286-A1 Antibacterial compounds containing beta-lactams, processes for their preparation and their use BEECHAM GROUP PLC (GB) 1983-06-01 EP disclosed
US-3962234-A INSECTICIDES SHELL OIL COMPANY (US) 1976-06-08 US disclosed