SCHEMBL27452866

SCHEMBL27452866

CC(=O)NCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 0.60
▸ MAPT P10636 13/20 0.59
▸ RXFP1 Q9HBX9 3/20 0.57
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ LMNA P02545 6/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ HTT P42858 1/20 0.48

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) TP53MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27452351 0.84 MAPT (0.77) TP53MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27452354 0.82 MAPT (0.60) TP53MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL27452355 0.82 MAPT (0.63) TP53MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27452146 0.81 NPC1 (0.55) TP53MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27452720 0.81 RAB9A (0.77) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27452888 0.80 MAPT (0.61) TP53MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL27452712 0.80 MAPT (0.59) TP53MAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27451199 0.78 RAB9A (0.67) TP53MAPTRXFP1SMN1; SMN2KDM4E
SCHEMBL27452724 0.78 MAPT (0.67) MAPTSMN1; SMN2KDM4ENPC1RAB9A

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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