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SCHEMBL8913772

SCHEMBL8913772

Cc1c(NC(=O)NCc2ccccc2)sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 9/20 0.39
▸ ITGAV P06756 9/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8912018 0.91 ALDH1A1 (0.39) NPSR1RAB9AALDH1A1
SCHEMBL8911896 0.90 ATM (0.38) NPSR1ALDH1A1
SCHEMBL8912045 0.89 ALDH1A1 (0.43) NPSR1ALDH1A1
SCHEMBL8911361 0.88 NPSR1 (0.39) NPSR1RAB9AALDH1A1
SCHEMBL8917887 0.87 MAPT (0.40) NPSR1RAB9AALDH1A1
SCHEMBL8913775 0.86 ATM (0.50) ITGB3ITGAV
SCHEMBL8913766 0.86 ATM (0.50) ITGB3ITGAV
SCHEMBL8911768 0.84 ALDH1A1 (0.39) NPSR1ALDH1A1
SCHEMBL8913843 0.84 NPSR1 (0.36) NPSR1RAB9AALDH1A1
SCHEMBL8913653 0.83 ALDH1A1 (0.41) RAB9AALDH1A1

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