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Sugi Predict / Compounds / SCHEMBL21485424

SCHEMBL21485424

SCHEMBL21485424

NS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CN(C(=O)OCc4cc(Cl)cc(Cl)c4)C[C@@H]3C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 12/20 0.60
▸ ATXN2 Q99700 8/20 0.60
▸ CA2 P00918 6/20 0.53
▸ CA12 O43570 5/20 0.53
▸ CA1 P00915 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CA7 P43166 3/20 0.50
▸ CA14 Q9ULX7 3/20 0.50

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
SCHEMBL16053213 1.00 ENPP2 (0.60) ENPP2ATXN2CA2CA12CA1
SCHEMBL16053211 1.00 ENPP2 (0.60) ENPP2ATXN2CA2CA12CA1
SCHEMBL16053350 0.94 ENPP2 (0.59) ENPP2ATXN2CA2CA12CA1
SCHEMBL22957149 0.94 ENPP2 (0.59) ENPP2ATXN2CA2CA12CA1
SCHEMBL16081629 0.94 ENPP2 (0.59) ENPP2ATXN2CA2CA12CA1
SCHEMBL16053349 0.94 ENPP2 (0.59) ENPP2ATXN2CA2CA12CA1
SCHEMBL16052911 0.92 ENPP2 (0.72) ENPP2ATXN2CA2CA12CA1
SCHEMBL21485429 0.89 F13A1 (0.53) ENPP2ATXN2CA2CA12CA1
SCHEMBL16053436 0.89 F13A1 (0.53) ENPP2ATXN2CA2CA12CA1
SCHEMBL16053438 0.89 F13A1 (0.53) ENPP2ATXN2CA2CA12CA1

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-2970256-B1 NEW OCTAHYDRO-PYRROLO[3,4-C]-PYRROLE DERIVATIVES AND ANALOGS THEREOF AS AUTOTAXIN INHIBITORS HOFFMANN LA ROCHE (CH) 2019-10-23 — — EP claimed
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