SCHEMBL29516227

SCHEMBL29516227

COc1ccc(CCC(=O)SCCCCCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.66
▸ MAPK1 P28482 1/20 0.66
▸ APP P05067 1/20 0.65
▸ HDAC1 Q13547 7/20 0.60
▸ HDAC2 Q92769 7/20 0.60
▸ HDAC6 Q9UBN7 7/20 0.60
▸ HDAC3 O15379 6/20 0.60
▸ HDAC4 P56524 6/20 0.60
▸ HDAC7 Q8WUI4 6/20 0.60
▸ HDAC10 Q969S8 6/20 0.60
▸ HDAC11 Q96DB2 6/20 0.60
▸ HDAC8 Q9BY41 6/20 0.60
▸ HDAC9 Q9UKV0 6/20 0.60
▸ HDAC5 Q9UQL6 6/20 0.60
▸ LMNA P02545 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MEN1 O00255 1/20 0.55

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
SCHEMBL29515953 0.96 MAPT (0.63) MAPTMAPK1APPHDAC1HDAC2
SCHEMBL24359615 0.91 HDAC1 (0.67) HDAC1HDAC2HDAC6HDAC3HDAC4
SCHEMBL29516174 0.88 HDAC1 (0.57) MAPTMAPK1APPHDAC1HDAC2
SCHEMBL29516151 0.88 HDAC1 (0.61) MAPTMAPK1HDAC1HDAC2HDAC6
SCHEMBL29516107 0.88 MEN1 (0.59) MAPTMAPK1HDAC1HDAC2HDAC6
SCHEMBL29516155 0.86 HDAC1 (0.64) MAPTMAPK1HDAC1HDAC2HDAC6
SCHEMBL29516173 0.86 HDAC1 (0.66) MAPTHDAC1HDAC2HDAC6HDAC3
SCHEMBL29516132 0.84 HDAC1 (0.64) MAPTMAPK1HDAC1HDAC2HDAC6
SCHEMBL29515970 0.84 HDAC1 (0.59) MAPK1HDAC1HDAC2HDAC6HDAC3
SCHEMBL29516335 0.84 MEN1 (0.61) MAPTMAPK1HDAC1HDAC2HDAC6

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-2022087456-A1 NEW COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 — — WO disclosed
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