SCHEMBL27453512

SCHEMBL27453512

CC(=O)NCCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL27452421 0.97 MAPT (0.48) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27452862 0.81 MAPT (0.47) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27452355 0.81 MAPT (0.63) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27453308 0.80 ALDH1A1 (0.52) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27453117 0.79 RAB9A (0.60) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27453397 0.78 ALDH1A1 (0.52) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27452420 0.78 HTT (0.55) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27452210 0.78 MAPT (0.53) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27451638 0.77 MAPT (0.64) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27452724 0.76 MAPT (0.67) MAPTKDM4ERAB9ANPC1SMN1; SMN2

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
Send feedback