SCHEMBL11348606

SCHEMBL11348606

COc1ccc(SCc2ncon2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 2/20 0.43
▸ DAO P14920 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL11349490 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMAOBMAOAMTNR1A
SCHEMBL11347391 0.82 L3MBTL1 (0.35) ALDH1A1MAPTMAOAKMT2ANPC1
SCHEMBL11180901 0.79 MEN1 (0.40) ALDH1A1MAPTHTTTDP1MAOB
SCHEMBL11180716 0.79 MAOA (0.39) ALDH1A1HTTTDP1MAOBMAOA
SCHEMBL11347085 0.78 L3MBTL1 (0.35) APPALDH1A1MAPTTDP1SMN1; SMN2
Dimethylamine SCHEMBL11347087 0.76 ALDH1A1 (0.42) ALDH1A1MAPTHTTTDP1KDM4E
SCHEMBL3228582 0.70 APP (0.82) APPALDH1A1MAOBMAOADAO
SCHEMBL18883700 0.69 ALDH1A1 (0.49) APPALDH1A1MAPTHTTTDP1
SCHEMBL418525 0.67 ALDH1A1 (0.59) APPALDH1A1MAPTMAOBMAOA
SCHEMBL11351505 0.67 HTR2C (0.36) ALDH1A1TDP1MAOBMAOAGAA

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
US-4294842-A MALARIA BURROUGHS WELLCOME CO. (US) 1981-10-13 — — US disclosed
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