SCHEMBL6970313

SCHEMBL6970313

O=c1[nH]c2cc(Sc3cccc4cnccc34)c([N+](=O)[O-])cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.39
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
KMT2A Q03164 6/20 0.38
MEN1 O00255 4/20 0.38
MAPT P10636 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.37
PSMD14 O00487 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CHUK O15111 1/20 0.36
PKN1 Q16512 1/20 0.35
PKN2 Q16513 1/20 0.35
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL6961855 0.84 MEN1 (0.41) PDE3BPDE3AKMT2AMEN1MAPT
SCHEMBL6959978 0.80 KMT2A (0.40) PDE3BPDE3AKMT2AMEN1MAPT
SCHEMBL6963394 0.79 PGR (0.39) PGRPDE3BPDE3AMAPTTDP1
SCHEMBL6974578 0.79 HTT (0.41) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL6974324 0.78 KMT2A (0.40) PDE3BPDE3AKMT2AMEN1MAPT
SCHEMBL6963335 0.77 LMNA (0.46) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL6972315 0.77 LMNA (0.46) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL6970234 0.76 MAPT (0.46) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL6971375 0.76 MAPT (0.44) KMT2AMEN1MAPTNPSR1TDP1
SCHEMBL6968103 0.75 MAPT (0.48) KMT2AMEN1MAPTNPSR1TDP1

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