SCHEMBL27452146

SCHEMBL27452146

CC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.55
▸ RAB9A P51151 7/20 0.55
▸ MAPT P10636 6/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TP53 P04637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL27451638 0.85 MAPT (0.64) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27852729 0.83 RAB9A (0.52) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452355 0.82 MAPT (0.63) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452210 0.82 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452720 0.81 RAB9A (0.77) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452866 0.81 TP53 (0.60) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452351 0.81 MAPT (0.77) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27451289 0.81 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27451199 0.79 RAB9A (0.67) NPC1RAB9AMAPTSMN1; SMN2KDM4E
SCHEMBL27452724 0.78 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2KDM4E

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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