SCHEMBL19157525

SCHEMBL19157525

C=NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(C)s1)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.44
▸ ITGB2 P05107 16/20 0.41
▸ ICAM1 P05362 16/20 0.41
▸ ITGAL P20701 16/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL13435928 0.77 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL23176447 0.75 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL18867800 0.75 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL19157560 0.72 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL4755996 0.72 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL13894233 0.71 ITGB2 (0.49) HDAC6ITGB2ICAM1ITGAL
SCHEMBL18867998 0.69 HDAC6 (0.39) HDAC6ITGB2ICAM1ITGALALDH1A1
SCHEMBL18868119 0.68 HDAC6 (0.50) HDAC6ITGB2ICAM1ITGAL
SCHEMBL23979102 0.68 ITGB2 (0.58) HDAC6ITGB2ICAM1ITGAL
SCHEMBL10129657 0.66 ITGB2 (0.62) HDAC6ITGB2ICAM1ITGAL

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-3195861-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF DRY EYE DISORDERS SARcode Bioscience Inc. (US) 2017-07-26 — — EP disclosed
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