SCHEMBL9800539

SCHEMBL9800539

COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C(=Cc1ccccc1)CS(=O)(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ HDAC6 Q9UBN7 4/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOS2 P35228 3/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ KLK5 Q9Y337 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATM Q13315 1/20 0.32

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
SCHEMBL7292877 0.78 REN (0.54) —
SCHEMBL9800493 0.78 REN (0.53) —
SCHEMBL7283673 0.78 REN (0.49) —
SCHEMBL7282082 0.78 REN (0.53) —
SCHEMBL7282781 0.78 REN (0.48) —
SCHEMBL7281647 0.77 REN (0.47) —
SCHEMBL7293140 0.77 REN (0.52) —
SCHEMBL9800625 0.77 REN (0.46) ALDH1A1MEN1LMNAKMT2ATHRB
SCHEMBL7332377 0.77 REN (0.46) ALDH1A1MEN1LMNAKMT2ATHRB
SCHEMBL10521837 0.76 ALDH1A1 (0.33) ALDH1A1HDAC6HDAC1GAARAB9A

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-0416373-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-03-13 — — EP disclosed
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