SCHEMBL6966909

SCHEMBL6966909

O=[N+]([O-])c1ccc(Sc2cccc3cnccc23)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPKAPK2 P49137 1/20 0.43
MAPT P10636 7/20 0.42
TDP1 Q9NUW8 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE7A Q13946 4/20 0.41
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.38
PDE4D Q08499 2/20 0.38
PDE4B Q07343 1/20 0.38
PDE7B Q9NP56 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38

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 0.86 LMNA (0.43) MAPTTDP1MEN1KMT2ANPSR1
SCHEMBL6967573 0.83 HTT (0.47) KDM4EMAPTTDP1MEN1KMT2A
SCHEMBL6963693 0.80 MAPT (0.60) KDM4EMAPKAPK2MAPTTDP1MEN1
SCHEMBL6966830 0.79 KDM4E (0.49) KDM4EMAPKAPK2MAPTMAPK1LMNA
SCHEMBL6961647 0.78 MEN1 (0.45) MAPTMEN1KMT2ANPSR1GAA
SCHEMBL6968494 0.78 ALDH1A1 (0.64) MAPTTDP1MEN1KMT2ANPSR1
SCHEMBL6972315 0.76 LMNA (0.46) MAPTTDP1MEN1KMT2ANPSR1
SCHEMBL6963335 0.76 LMNA (0.46) MAPTTDP1MEN1KMT2ANPSR1
SCHEMBL6968103 0.76 MAPT (0.48) MAPTTDP1MEN1KMT2ANPSR1
SCHEMBL20727289 0.76 PDE7A (0.55) KDM4EMAPTTDP1MEN1KMT2A

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