SCHEMBL9636136

SCHEMBL9636136

Nc1ccc(Cc2ccccn2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 3/20 0.45
CYP3A4 P08684 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RECQL P46063 1/20 0.43
MAPK1 P28482 1/20 0.43
MGMT P16455 1/20 0.41
PRMT1 Q99873 1/20 0.41
SYK P43405 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
CTSB P07858 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 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
SCHEMBL29693715 0.84 CYP1A2 (0.52) L3MBTL1ALDH1A1KDM4EPKMCYP3A4
SCHEMBL5159572 0.84 CYP1A2 (0.52) L3MBTL1ALDH1A1KDM4EPKMCYP3A4
SCHEMBL460266 0.82 ALDH1A1 (0.63) L3MBTL1ALDH1A1KDM4EPKMTSHR
SCHEMBL11776814 0.80 MAPT (0.63) ALDH1A1KDM4EPKMTDP1RECQL
SCHEMBL11425242 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4TSHRMAPK1LMNA
SCHEMBL1351968 0.80 ALDH1A1 (0.62) L3MBTL1ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL29389163 0.80 ALDH1A1 (0.62) L3MBTL1ALDH1A1CYP3A4ALOX15TDP1
SCHEMBL8391800 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL17728707 0.77 ALDH1A1 (0.48) L3MBTL1ALDH1A1KDM4EPKMCYP3A4
SCHEMBL9636348 0.76 HTT (0.53) L3MBTL1ALDH1A1KDM4EPKMCYP3A4

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-0303232-B1 USE OF BENZYLPYRIDINE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF DEMENTIA KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-29 EP disclosed
US-4851414-A AMIDO NITRO BENZYLPYRIDINES KYOWA HAKKO KAGYO CO., LTD. (JP) 1989-07-25 US disclosed
EP-0303232-A2 Use of benzylpyridine derivatives in the manufacture of a medicament for the treatment of dementia KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-02-15 EP disclosed