SCHEMBL7532407

SCHEMBL7532407

Nc1ccc2nccc(N3CCN4CCCC4C3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
MAP4K4 O95819 1/20 0.47
HRH4 Q9H3N8 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 3/20 0.41
ROCK1 Q13464 3/20 0.41
CDC42BPA Q5VT25 3/20 0.41
CDC42BPB Q9Y5S2 3/20 0.41
ATR Q13535 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NCF1 P14598 1/20 0.38
PBK Q96KB5 1/20 0.38

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
SCHEMBL7532403 1.00 HTR6 (0.49) HTR6MAP4K4HRH4MEN1KMT2A
SCHEMBL7532374 0.81 HTR6 (0.48) HTR6MAP4K4HRH4MEN1KMT2A
SCHEMBL7532372 0.81 HTR6 (0.48) HTR6MAP4K4HRH4MEN1KMT2A
SCHEMBL27556790 0.77 HTR6 (0.42) HTR6MAP4K4HRH4ROCK2ROCK1
SCHEMBL27573339 0.77 HTR6 (0.42) HTR6MAP4K4HRH4ROCK2ROCK1
SCHEMBL27573256 0.77 HTR6 (0.42) HTR6MAP4K4HRH4ROCK2ROCK1
SCHEMBL21245786 0.75 ALDH1A1 (0.50) MAP4K4HRH4MEN1KMT2AATR
SCHEMBL21267453 0.75 ALDH1A1 (0.50) MAP4K4HRH4MEN1KMT2AATR
SCHEMBL10036371 0.75 MAPT (0.55) HTR6MAP4K4HRH4MEN1KMT2A
SCHEMBL29508926 0.75 ALDH1A1 (0.50) MAP4K4HRH4MEN1KMT2AATR

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