SCHEMBL25600192

SCHEMBL25600192

CC(=O)NSc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.32
BTK Q06187 1/20 0.32
CXCR2 P25025 1/20 0.31
UCHL1 P09936 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL31379113 0.77 JAK2 (0.32) JAK2BTK
SCHEMBL2524662 0.74 TSHR (0.43) CA1CA2CA9
SCHEMBL31379104 0.73 LPL (0.34) JAK2BTK
SCHEMBL23357823 0.73 PKM (0.46) CA1CA2CA9
SCHEMBL22366946 0.72 KCNH2 (0.33) JAK2BTK
SCHEMBL1130339 0.72 TSHR (0.49) CA1CA2CA9
SCHEMBL10325839 0.71 EPHX1 (0.39) CXCR2CA1CA2CA9
SCHEMBL4468874 0.71 ALDH1A1 (0.44) UCHL1CA1CA2CA9
SCHEMBL29734873 0.71 ALDH1A1 (0.44) UCHL1CA1CA2CA9
SCHEMBL25600203 0.71 MAPT (0.41) CA1CA2CA9

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-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 EP disclosed