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SCHEMBL24629451

SCHEMBL24629451

COc1ccc(NC(=O)CN(C)C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.58
▸ HTT P42858 2/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TSHR P16473 1/20 0.48

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
SCHEMBL29769183 1.00 ALDH1A1 (0.58) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL24629813 0.86 HTT (0.59) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL29769127 0.86 HTT (0.59) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL29769200 0.86 KDR (0.53) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL24629934 0.86 KDR (0.53) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL7499427 0.81 ALDH1A1 (0.56) ALDH1A1HTTKMT2AMEN1POLB
SCHEMBL24630015 0.81 LMNA (0.46) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL23991325 0.79 POLB (0.59) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2008813 0.78 ALDH1A1 (0.70) ALDH1A1HTTKMT2AMEN1MAPT
SCHEMBL19112868 0.77 GAA (0.52) ALDH1A1HTTKMT2AMAPTPOLB

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
WO-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 — — WO disclosed