SCHEMBL6246783

SCHEMBL6246783

CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 12/20 0.80
▸ MAPT P10636 2/20 0.75
▸ RECQL P46063 2/20 0.75
▸ BLM P54132 2/20 0.75
▸ TDP1 Q9NUW8 2/20 0.75
▸ CACNA1B Q00975 1/20 0.75
▸ APBA1 Q02410 1/20 0.75
▸ HTT P42858 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ DUSP3 P51452 1/20 0.64
▸ PTPN5 P54829 1/20 0.64
▸ PTPN11 Q06124 1/20 0.64
▸ MMP2 P08253 2/20 0.61
▸ MMP9 P14780 2/20 0.61
▸ MMP8 P22894 2/20 0.61
▸ MMP13 P45452 2/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL6244234 0.89 HPSE (1.00) HPSEMAPTRECQLBLMTDP1
SCHEMBL6261453 0.89 HPSE (0.68) HPSEMAPTRECQLBLMTDP1
SCHEMBL14615276 0.87 MAPT (0.76) HPSEMAPTRECQLBLMTDP1
SCHEMBL15705235 0.84 HPSE (0.77) HPSEMAPTRECQLBLMTDP1
SCHEMBL22489160 0.83 FOXO1 (0.58) HPSEMAPTRECQLBLMTDP1
SCHEMBL2246214 0.82 HPSE (0.83) HPSEMAPTRECQLBLMTDP1
SCHEMBL6513034 0.82 HPSE (0.72) HPSEMAPTRECQLBLMTDP1
SCHEMBL6265376 0.81 HPSE (0.82) HPSEMAPTRECQLBLMTDP1
SCHEMBL6248635 0.81 HPSE (1.00) HPSEMAPTRECQLBLMTDP1
SCHEMBL6246003 0.81 HPSE (0.80) HPSEMAPTRECQLBLMTDP1

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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