SCHEMBL6245492

SCHEMBL6245492

CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)cc1Br

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 16/20 0.77
▸ MAPT P10636 3/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ CACNA1B Q00975 1/20 0.58
▸ APBA1 Q02410 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL6246583 0.89 HPSE (0.82) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6244234 0.87 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6264780 0.86 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6265376 0.86 HPSE (0.82) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6263153 0.84 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6247745 0.83 HPSE (0.79) HPSE
SCHEMBL14381770 0.82 COMT (0.66) HPSEMAPTSMN1; SMN2
SCHEMBL6244183 0.81 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6248635 0.80 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6265143 0.80 HPSE (0.80) HPSEMAPTKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005030206-A1 ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY IMCLONE SYSTEMS INCORPORATED (US) 2005-04-07 — — WO disclosed
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