SCHEMBL6265376

SCHEMBL6265376

CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2)cc1Br

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 11/20 0.82
▸ KDR P35968 1/20 0.58
▸ MAPT P10636 2/20 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
▸ PRSS12 P56730 4/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RHEB Q15382 1/20 0.55

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
SCHEMBL6264780 0.90 HPSE (1.00) HPSEKDRMAPTRECQLBLM
SCHEMBL6246583 0.89 HPSE (0.82) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6263153 0.87 HPSE (1.00) HPSEKDRMAPTRECQLBLM
SCHEMBL6244234 0.87 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6245492 0.86 HPSE (0.77) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6246783 0.81 HPSE (0.80) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6264637 0.81 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6258786 0.81 HPSE (0.77) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6248635 0.80 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B
SCHEMBL6266518 0.79 HPSE (1.00) HPSEMAPTRECQLBLMCACNA1B

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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