SCHEMBL3901418

SCHEMBL3901418

N#Cc1cccc(OCCBr)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.54
GSK3B P49841 2/20 0.47
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAP4K4 O95819 1/20 0.41
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40

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
SCHEMBL5314368 0.91 TBXAS1 (0.52) TBXAS1GSK3BHRH1CCR3SMN1; SMN2
SCHEMBL4948901 0.90 TBXAS1 (0.51) TBXAS1GSK3BHRH1CCR3FFAR1
SCHEMBL22120309 0.88 TBXAS1 (0.50) TBXAS1GSK3BFFAR1
SCHEMBL30826996 0.88 TBXAS1 (0.50) TBXAS1GSK3BFFAR1
SCHEMBL11033727 0.88 TBXAS1 (0.50) TBXAS1GSK3BFFAR1
SCHEMBL27969567 0.85 TBXAS1 (0.49) TBXAS1GSK3BSMN1; SMN2SLC6A2SLC6A4
SCHEMBL7388461 0.85 TBXAS1 (0.56) TBXAS1HRH1CCR3
SCHEMBL13684905 0.84 TBXAS1 (0.55) TBXAS1GSK3BHRH1CCR3SMN1; SMN2
SCHEMBL20552139 0.84 TBXAS1 (0.55) TBXAS1HRH1CCR3SMN1; SMN2SLC6A2
SCHEMBL687723 0.82 TBXAS1 (0.54) TBXAS1HRH1CCR3SMN1; SMN2SLC6A2

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-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed