SCHEMBL21769884

SCHEMBL21769884

Cc1ccc(N(CC(=O)Nc2ccc(-c3ncon3)cc2)C(=O)C2CC[S+]([O-])CC2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ DRD4 P21917 1/20 0.32
▸ POLB P06746 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.31

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
SCHEMBL21769879 0.88 MAPT (0.38) GAAKMT2AMEN1LMNASMN1; SMN2
SCHEMBL21769881 0.88 ALDH1A1 (0.39) USP2GAAKMT2AMEN1LMNA
SCHEMBL22055760 0.87 NPC1 (0.36) KMT2AMEN1LMNASMN1; SMN2HTT
SCHEMBL21769574 0.85 HCRTR1 (0.31) —
SCHEMBL21769573 0.82 POLB (0.39) USP2GAAKMT2AMEN1LMNA
SCHEMBL17923449 0.82 SMN1; SMN2 (0.36) KMT2AMEN1LMNASMN1; SMN2MAPK1
SCHEMBL21769740 0.81 L3MBTL1 (0.33) USP2GAAKMT2AMEN1LMNA
SCHEMBL21769572 0.81 POLB (0.38) USP2KMT2AMEN1LMNASMN1; SMN2
SCHEMBL2237688 0.81 HDAC1 (0.39) KMT2AMEN1LMNASMN1; SMN2POLB
SCHEMBL21769854 0.81 KMT2A (0.39) USP2GAAKMT2AMEN1LMNA

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-2020038812-A1 NEW PROCESS FOR THE PREPARATION OF AMENAMEVIR RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-02-27 — — WO disclosed
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