SCHEMBL6974324

SCHEMBL6974324

O=c1[nH]c2cc([N+](=O)[O-])c(Sc3cccc4cnccc34)cc2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
PSMD14 O00487 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHUK O15111 1/20 0.36
LMNA P02545 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6959978 0.96 KMT2A (0.40) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6961855 0.84 MEN1 (0.41) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6968882 0.79 PRKD3 (0.40) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL6970313 0.78 PGR (0.39) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6963335 0.77 LMNA (0.46) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6972315 0.77 LMNA (0.46) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6967301 0.77 PRKD3 (0.40) KMT2AMEN1MAPK1PDE3BPDE3A
SCHEMBL6970234 0.76 MAPT (0.46) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6971375 0.76 MAPT (0.44) KMT2AMEN1MAPTTDP1NPSR1
SCHEMBL6968103 0.75 MAPT (0.48) KMT2AMEN1MAPTTDP1NPSR1

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 2 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
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed