SCHEMBL26050870

SCHEMBL26050870

C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Br)c(F)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ TSHR P16473 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL30541841 1.00 AAK1 (0.39) AAK1TRPA1TSHRLMNAKMT2A
SCHEMBL26051336 0.86 AAK1 (0.40) AAK1TRPA1TSHRLMNAKMT2A
SCHEMBL30541871 0.86 AAK1 (0.40) AAK1TRPA1TSHRLMNAKMT2A
SCHEMBL17041209 0.86 AAK1 (0.40) AAK1TRPA1TSHRKMT2AMEN1
SCHEMBL17040888 0.86 AAK1 (0.40) AAK1TRPA1TSHRKMT2AMEN1
SCHEMBL17040765 0.86 AAK1 (0.40) AAK1TRPA1TSHRKMT2AMEN1
SCHEMBL18854490 0.84 AAK1 (0.41) AAK1KMT2AMEN1CTSSCTSK
SCHEMBL30541840 0.84 AAK1 (0.39) AAK1TRPA1TSHRKMT2AMEN1
SCHEMBL26051971 0.84 AAK1 (0.39) AAK1TRPA1TSHRKMT2AMEN1
SCHEMBL30541845 0.83 AAK1 (0.40) AAK1TRPA1TSHRLMNAKMT2A

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-3793994-B1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC (US) 2023-08-23 — — EP disclosed
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