SCHEMBL17625895

SCHEMBL17625895

O=[N+]([O-])c1ccccc1N1C=CCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRM5 P41594 1/20 0.40
CTSB P07858 1/20 0.40
AR P10275 1/20 0.40
HSD11B1 P28845 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3434171 0.77 HTT (0.54) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL4541704 0.76 KMT2A (0.40) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL8524494 0.75 KMT2A (0.42) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL1274938 0.74 HTT (0.73) KMT2AHTTALDH1A1L3MBTL1MAPT
Nitric Acid SCHEMBL8769140 0.74 ALDH1A1 (0.39) KMT2AALDH1A1L3MBTL1MAPTMEN1
SCHEMBL2076686 0.73 HTT (0.61) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL9655479 0.72 KMT2A (0.45) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL9736258 0.72 MAPT (0.50) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL4541081 0.72 HTT (0.46) KMT2AHTTALDH1A1L3MBTL1MAPT
SCHEMBL29937743 0.72 CTSB (0.65) KMT2AHTTALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3001227-B1 OPTICAL FILM, METHOD FOR PRODUCING OPTICAL FILM, AND SURFACE LIGHT-EMITTING BODY MITSUBISHI CHEM CORP (JP) 2018-11-28 EP disclosed
US-20160123552-A1 OPTICAL FILM, METHOD FOR PRODUCING OPTICAL FILM, AND SURFACE LIGHT-EMITTING BODY MITSUBISHI RAYON CO., LTD. (JP) 2016-05-05 US disclosed
EP-3001227-A1 OPTICAL FILM, METHOD FOR PRODUCING OPTICAL FILM, AND SURFACE LIGHT-EMITTING BODY Mitsubishi Rayon Co., Ltd. (JP) 2016-03-30 EP disclosed