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SCHEMBL8917896

SCHEMBL8917896

Cc1c(NC(=O)Nc2ccc(Cl)cc2)sc2nc(C(C)NC(=O)OCc3ccccc3)oc(=O)c12

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.47
▸ CTSK P43235 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PPIA P62937 1/20 0.38

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
SCHEMBL8917884 1.00 ATM (0.47) ATMCTSKMEN1ALDH1A1HPGD
SCHEMBL8912021 0.94 ATM (0.51) ATMNPSR1
SCHEMBL8912014 0.94 ATM (0.51) ATMNPSR1
SCHEMBL8911317 0.92 ATM (0.46) ATMCTSKMEN1ALDH1A1KMT2A
SCHEMBL8911326 0.92 ATM (0.46) ATMCTSKMEN1ALDH1A1KMT2A
SCHEMBL8911892 0.89 ATM (0.52) ATMNPSR1
SCHEMBL8911899 0.89 ATM (0.52) ATMNPSR1
SCHEMBL8913775 0.87 ATM (0.50) ATM
SCHEMBL8913766 0.87 ATM (0.50) ATM
SCHEMBL8917887 0.87 MAPT (0.40) MEN1ALDH1A1HPGDKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 — — EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 — — WO disclosed