SCHEMBL6263507

SCHEMBL6263507

O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(OCCCCl)c(Br)c1

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 16/20 0.83
▸ MMP2 P08253 2/20 0.63
▸ MMP9 P14780 2/20 0.63
▸ MMP8 P22894 2/20 0.63
▸ MMP13 P45452 2/20 0.63
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ BLM P54132 1/20 0.60
▸ CACNA1B Q00975 1/20 0.60
▸ APBA1 Q02410 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL6248635 0.91 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6248620 0.90 HPSE (0.81) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244234 0.89 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6264507 0.89 HPSE (0.82) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6265433 0.86 HPSE (0.76) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244309 0.86 HPSE (0.72) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6244183 0.86 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6507068 0.83 HPSE (0.94) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6503250 0.81 HPSE (1.00) HPSEMMP2MMP9MMP8MMP13
SCHEMBL6246783 0.80 HPSE (0.80) HPSEMMP2MMP9MMP8MMP13

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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