SCHEMBL27554865

SCHEMBL27554865

[CH2]c1ccc(Cl)c(N[SH](=O)=O)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL29056188 0.79 MEN1 (0.50) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL27329147 0.73 SLC22A12 (0.31) MEN1POLBKMT2A
SCHEMBL27577490 0.73 ALDH1A1 (0.53) ALDH1A1
SCHEMBL27996979 0.72 MAPT (0.50) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL27286217 0.72 ALDH1A1 (0.64) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL27296313 0.72 MAPT (0.46) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL31527626 0.71 MCL1 (0.50) MEN1POLBKMT2AALDH1A1MCL1
SCHEMBL28623470 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPT
SCHEMBL27839046 0.70 CYP1A2 (0.44) MEN1POLBKMT2AALDH1A1MAPT
SCHEMBL28921996 0.65 GAA (0.39) ALDH1A1

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
CN-1299365-A Hygromycin A derivatives PFIZER PROD INC (US) 2001-06-13 — — CN disclosed
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