SCHEMBL6011837

SCHEMBL6011837

O=C(CN(C(=O)C1CCSCC1)c1ccc2c(c1)CCC2)Nc1ccc(-c2ncon2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ POLB P06746 2/20 0.32
▸ TDP1 Q9NUW8 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
SCHEMBL2236097 0.89 HDAC1 (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL17923455 0.85 MAPT (0.37) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL17923449 0.85 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2NPC1MAPTMEN1
SCHEMBL17923453 0.85 MAPT (0.35) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL3892309 0.80 NPC1 (0.37) SMN1; SMN2RAB9ANPC1CYP3A4MAPT
SCHEMBL6011885 0.76 NCOA3 (0.31) ALDH1A1CYP3A4HPGDMAPT
SCHEMBL14000174 0.76 MAPT (0.38) ALDH1A1RAB9ANPC1HPGDMAPT
SCHEMBL2238014 0.75 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL2237688 0.75 HDAC1 (0.39) SMN1; SMN2CYP2C19MAPTMEN1KMT2A
SCHEMBL3557373 0.75 MAPT (0.36) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD

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 2 patents. 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
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 — — EP disclosed
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