SCHEMBL6961855

SCHEMBL6961855

O=c1[nH]c2cc(Sc3cccc4cnccc34)c([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.40
PSMD14 O00487 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHUK O15111 1/20 0.39
PKN1 Q16512 1/20 0.38
PKN2 Q16513 1/20 0.38
PIM1 P11309 2/20 0.35
PIM3 Q86V86 1/20 0.35
BCL6 P41182 1/20 0.35
BCOR Q6W2J9 1/20 0.35

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
SCHEMBL6974324 0.84 KMT2A (0.40) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6970313 0.84 PGR (0.39) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6959978 0.84 KMT2A (0.40) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6972315 0.84 LMNA (0.46) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6963335 0.81 LMNA (0.46) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6970234 0.81 MAPT (0.46) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6971375 0.80 MAPT (0.44) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6968103 0.79 MAPT (0.48) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL6968494 0.78 ALDH1A1 (0.64) MEN1KMT2AMAPTNPSR1TDP1
SCHEMBL8357964 0.78 SLC6A2 (0.49) MEN1KMT2AMAPTNPSR1TDP1

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