SCHEMBL24767308

SCHEMBL24767308

CCc1c[nH]c([C@H](Cc2ccc(N[SH](=O)=O)cc2)NC(=O)C(Cc2ccccc2)c2cccc(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PTPRB P23467 8/20 0.35
ROCK2 O75116 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 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
SCHEMBL20060125 0.84 PTPRB (0.53) PTPRB
SCHEMBL24767062 0.83 PTPRB (0.38) PTPRBROCK2
SCHEMBL24318149 0.83 PTPRB (0.45) ALDH1A1PTPRB
SCHEMBL23770161 0.81 PTPRB (0.53) PTPRB
SCHEMBL23770076 0.81 PTPRB (0.50) ALDH1A1PTPRB
SCHEMBL24767156 0.80 PTPRB (0.51) PTPRB
SCHEMBL23769990 0.75 PTPRB (0.56) PTPRB
SCHEMBL24319135 0.74 PTPRB (0.56) ALDH1A1PTPRBROCK2
SCHEMBL24318145 0.74 PTPRB (0.53) PTPRB
SCHEMBL24319129 0.72 PTPRB (0.55) ALDH1A1PTPRB

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-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 EP disclosed