SCHEMBL21769856

SCHEMBL21769856

C=N/C(=N\OC)c1ccc(NC(=O)CN(C(=O)C2CCS(=O)(=O)CC2)c2c(C)cccc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL21769873 0.87 — —
SCHEMBL14000159 0.76 MAPT (0.37) L3MBTL1NPC1RAB9AMEN1KMT2A
Amenamevir SCHEMBL2238614 0.75 HDAC1 (0.37) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL14000191 0.75 SLC6A9 (0.43) —
SCHEMBL2238684 0.73 CHRM1 (0.36) L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL2815306 0.72 HTT (0.39) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL28459274 0.70 GAA (0.36) L3MBTL1MEN1KMT2AMAPTLMNA
SCHEMBL2239362 0.69 HDAC1 (0.38) L3MBTL1
SCHEMBL21769886 0.68 POLB (0.36) L3MBTL1MAPTALDH1A1POLBTDP1
SCHEMBL21769890 0.68 HTT (0.36) MAPTALDH1A1

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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