SCHEMBL18868119

SCHEMBL18868119

NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3s1)C2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 4/20 0.50
▸ HRH4 Q9H3N8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ ITGB2 P05107 9/20 0.43
▸ ICAM1 P05362 9/20 0.43
▸ ITGAL P20701 9/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ SPR P35270 1/20 0.40

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
SCHEMBL18868524 0.85 ITGB2 (0.53) HDAC6ITGB2ICAM1ITGAL
SCHEMBL15503295 0.83 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL18362378 0.81 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL18362384 0.78 HDAC6 (0.79) HDAC6HRH4CA12CA1CA2
SCHEMBL18868101 0.77 ITGB2 (0.57) HDAC6ITGB2ICAM1ITGAL
SCHEMBL18885628 0.76 ITGB2 (0.59) HDAC6ITGB2ICAM1ITGAL
SCHEMBL13894226 0.74 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL18362337 0.74 HDAC6 (0.46) HDAC6ITGB2ICAM1ITGALSPR
SCHEMBL12062979 0.74 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL23992528 0.73 ITGB2 (0.56) ITGB2ICAM1ITGAL

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
EP-3167886-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA SARcode Bioscience Inc. (US) 2017-05-17 — — EP disclosed
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