SCHEMBL29516107

SCHEMBL29516107

CC(=O)Nc1ccc(CCC(=O)SCCCCCCC(=O)Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HDAC3 O15379 8/20 0.58
▸ HDAC1 Q13547 7/20 0.58
▸ HDAC2 Q92769 7/20 0.58
▸ HDAC6 Q9UBN7 7/20 0.58
▸ HDAC10 Q969S8 6/20 0.58
▸ HDAC4 P56524 5/20 0.58
▸ HDAC7 Q8WUI4 5/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ HDAC8 Q9BY41 5/20 0.58
▸ HDAC9 Q9UKV0 5/20 0.58
▸ HDAC5 Q9UQL6 5/20 0.58
▸ RAB9A P51151 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL29516335 0.96 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24359615 0.91 HDAC1 (0.67) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL29516151 0.88 HDAC1 (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29516227 0.88 MAPT (0.66) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29516155 0.86 HDAC1 (0.64) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29516173 0.86 HDAC1 (0.66) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL29515970 0.84 HDAC1 (0.59) MEN1KMT2ALMNAHDAC3HDAC1
SCHEMBL29516132 0.84 HDAC1 (0.64) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29515953 0.84 MAPT (0.63) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL29516174 0.83 HDAC1 (0.57) MEN1KMT2ALMNAMAPTHDAC3

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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