SCHEMBL6967573

SCHEMBL6967573

N#Cc1cc(Sc2cccc3cnccc23)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MAPT P10636 7/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
SLC22A12 Q96S37 4/20 0.39
GRM6 O15303 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
PDE7A Q13946 3/20 0.39
LMNA P02545 2/20 0.37

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
SCHEMBL6966094 0.83 LMNA (0.43) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL6966909 0.83 KDM4E (0.43) HTTMAPTMEN1KMT2ATDP1
SCHEMBL6962431 0.81 HTT (0.52) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL6961639 0.79 MAPT (0.45) HTTMAPTMEN1KMT2ATDP1
SCHEMBL6963693 0.78 MAPT (0.60) HTTMAPTMEN1KMT2ATDP1
SCHEMBL6961647 0.76 MEN1 (0.45) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL6968494 0.75 ALDH1A1 (0.64) HTTMAPTMEN1KMT2ATDP1
SCHEMBL8390638 0.75 MAOA (0.46) HTTMAPTMEN1KMT2ATDP1
SCHEMBL6963335 0.74 LMNA (0.46) HTTMAPTMEN1KMT2ATDP1
SCHEMBL6968103 0.74 MAPT (0.48) HTTMAPTMEN1KMT2ATDP1

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-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed