SCHEMBL27452210

SCHEMBL27452210

CC(=O)NCCCC(=O)Nc1cnc(-c2nc3ccccc3s2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ LMNA P02545 3/20 0.48
▸ HDAC6 Q9UBN7 5/20 0.47
▸ HDAC1 Q13547 4/20 0.47
▸ HDAC8 Q9BY41 4/20 0.47
▸ HDAC3 O15379 3/20 0.47
▸ HDAC4 P56524 3/20 0.47
▸ HDAC7 Q8WUI4 3/20 0.47
▸ HDAC2 Q92769 3/20 0.47
▸ HDAC10 Q969S8 3/20 0.47
▸ HDAC11 Q96DB2 3/20 0.47
▸ HDAC9 Q9UKV0 3/20 0.47
▸ HDAC5 Q9UQL6 3/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ PKM P14618 2/20 0.47

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
SCHEMBL27451289 0.89 MAPT (0.53) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27451638 0.85 MAPT (0.64) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452355 0.84 MAPT (0.63) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452351 0.82 MAPT (0.77) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452146 0.82 NPC1 (0.55) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452862 0.81 MAPT (0.47) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452888 0.81 MAPT (0.61) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452354 0.81 MAPT (0.60) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27452724 0.80 MAPT (0.67) MAPTSMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL27451199 0.78 RAB9A (0.67) MAPTSMN1; SMN2KDM4ERAB9ANPC1

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-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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