SCHEMBL7532374

SCHEMBL7532374

O=[N+]([O-])c1ccc2nccc(N3CCN4CCCC4C3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.48
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EIF2AK2 P19525 1/20 0.40
MAP4K4 O95819 1/20 0.39
HRH4 Q9H3N8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 3/20 0.38
CDC42BPA Q5VT25 3/20 0.38
CDC42BPB Q9Y5S2 3/20 0.38
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL7532372 1.00 HTR6 (0.48) HTR6MEN1KMT2ANPC1ALDH1A1
SCHEMBL7532403 0.81 HTR6 (0.49) HTR6MEN1KMT2AMAP4K4HRH4
SCHEMBL7532407 0.81 HTR6 (0.49) HTR6MEN1KMT2AMAP4K4HRH4
SCHEMBL29508860 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL21245856 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL7467872 0.77 EIF2AK2 (0.55) MEN1KMT2AALDH1A1EIF2AK2HRH4
SCHEMBL7532954 0.76 ALDH1A1 (0.61) HTR6ALDH1A1MAPTL3MBTL1
SCHEMBL7532960 0.76 ALDH1A1 (0.61) HTR6ALDH1A1MAPTL3MBTL1
SCHEMBL7475609 0.76 ALDH1A1 (0.61) HTR6ALDH1A1MAPTL3MBTL1
SCHEMBL10036373 0.75 MAPT (0.51) MEN1KMT2ANPC1ALDH1A1POLB

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-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed