SCHEMBL28110463

SCHEMBL28110463

CCCCCCOS(=O)(=S)Oc1cccc2c1C(=O)NC2=O.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.38
▸ PDE5A O76074 2/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ POLM Q9NP87 1/20 0.34
▸ POLK Q9UBT6 1/20 0.34
▸ POLL Q9UGP5 1/20 0.34
▸ POLH Q9Y253 1/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CA1 P00915 8/20 0.33
▸ CA2 P00918 8/20 0.33
▸ CA9 Q16790 7/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA7 P43166 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33

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
SCHEMBL4593117 0.80 PRKCA (0.45) ELANEPDE5APDE4APDE4BPDE4C
SCHEMBL27611345 0.80 ALPL (0.41) ELANEPOLMPOLKPOLLPOLH
SCHEMBL27593199 0.80 ALPL (0.41) ELANEPOLMPOLKPOLLPOLH
SCHEMBL1027363 0.72 KDM4E (0.43) CASP3
SCHEMBL8816364 0.71 PTPRB (0.40) ELANEPDE5APDE4APDE4BPDE4C
SCHEMBL7648225 0.70 CYP2A6 (0.43) ELANEPDE5APDE4APDE4BPDE4C
SCHEMBL10726425 0.69 NR1H2 (0.40) ELANE
SCHEMBL31197390 0.69 NR1H2 (0.37) ELANEPOLMPOLKPOLLPOLH
SCHEMBL9603526 0.69 HTR1B (0.48) ELANE
SCHEMBL5077444 0.68 ALDH1A1 (0.61) ELANE

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
CN-103570978-B Rubber composition for tire and pneumatic tire 住友橡胶工业株式会社 2016-12-28 — — CN disclosed
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