SCHEMBL9682441

SCHEMBL9682441

CN(c1ccc(Br)cc1F)c1ncc(Cl)cc1N

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TRAP1 Q12931 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MET P08581 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR5 P51681 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL9680963 0.79 AMY1A (0.34)
SCHEMBL9682919 0.71 EGFR (0.43) GAAKMT2AGLAL3MBTL1
SCHEMBL1887433 0.66 PYCR1 (0.42) GAAKMT2ACCR5
SCHEMBL9682449 0.65 TRAP1 (0.44) KMT2AHSP90AA1HSP90AB1TRAP1L3MBTL1
SCHEMBL29255085 0.62 KCNH2 (0.39) S1PR1S1PR3
SCHEMBL22232235 0.60 KDM4E (0.32) GAA
SCHEMBL9118637 0.60
SCHEMBL979334 0.60 DGAT1 (0.41) GAAKMT2A
SCHEMBL305370 0.60
SCHEMBL30700775 0.60

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
US-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed
US-5021443-A Noval benzimidazole and azabenzimiazole derivatives which are thromboxane receptor antagonists, their methods of preparation and pharmaceutical compositions in which they are present LABORATOIRES UPSA (FR) 1991-06-04 US disclosed