SCHEMBL9682449

SCHEMBL9682449

Nc1cc(Cl)cnc1NCc1ccc(Br)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 5/20 0.44
HSP90AA1 P07900 2/20 0.44
HSP90AB1 P08238 1/20 0.44
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
HSP90B1 P14625 3/20 0.40
AKR1B1 P15121 1/20 0.39
ADRA2B P18089 1/20 0.37
BCDIN3D Q7Z5W3 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM1A O60341 1/20 0.36
EGFR P00533 1/20 0.35
ABL1 P00519 1/20 0.34

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
SCHEMBL9680964 0.80 MAPT (0.42) AKR1B1MEN1KMT2AMAPTEGFR
SCHEMBL9683479 0.77 AKR1B1 (0.43) TRAP1HSP90AA1HSP90AB1BACE1BACE2
SCHEMBL9681910 0.72 APP (0.47) MAPTEGFRALDH1A1
SCHEMBL27456222 0.72 FADS1 (0.49) AKR1B1
SCHEMBL16489590 0.71 EGFR (0.51) BACE1HPGDHTTEGFRABL1
SCHEMBL9681422 0.69 HDAC1 (0.40) TRAP1HSP90B1AKR1B1ADRA2BMAPT
SCHEMBL23292038 0.68 ALDH1A1 (0.52) ADRA2BMEN1KMT2AMAPTHPGD
SCHEMBL7746178 0.68 AKR1B1 (0.66) AKR1B1KMT2AMAPTHPGDABL1
SCHEMBL11158402 0.67 KDM1A (0.48) TRAP1HSP90AA1HSP90AB1HSP90B1AKR1B1
SCHEMBL9683520 0.66 TRPM5 (0.43) AKR1B1ADRA2BBCDIN3DMEN1KMT2A

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