SCHEMBL6974220

SCHEMBL6974220

N#CSc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
PDE7A Q13946 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
VCAM1 P19320 2/20 0.45
TDP1 Q9NUW8 4/20 0.43
TSHR P16473 1/20 0.43
CYP3A4 P08684 2/20 0.42
POLB P06746 2/20 0.40
ALOX15 P16050 1/20 0.40
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL10902894 0.86 TDP1 (0.44) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL6949538 0.81 MAPT (0.50) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL13260526 0.81 MAPT (0.40) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL11367939 0.79 USP2 (0.47) MAPTALDH1A1PDE7ATDP1TSHR
SCHEMBL1193334 0.77 ALDH1A1 (0.60) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL30458055 0.77 ALDH1A1 (0.60) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL1192794 0.76 MAPT (0.46) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL1192999 0.76 MAPT (0.46) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL614284 0.75 TDP1 (0.53) MAPTALDH1A1PDE7AMEN1KMT2A
SCHEMBL11548194 0.75 ALDH1A1 (0.63) MAPTALDH1A1PDE7AMEN1KMT2A

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