SCHEMBL27453518

SCHEMBL27453518

O=C(CCC1CCC(=O)N1)Nc1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ ATM Q13315 1/20 0.43
▸ MAPT P10636 7/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ POLB P06746 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40

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
SCHEMBL27451126 0.82 MGLL (0.57) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL27451276 0.78 RAB9A (0.54) RAB9ANPC1KDM4EATMMAPT
SCHEMBL27453397 0.77 ALDH1A1 (0.52) RAB9ANPC1KDM4EATMMAPT
SCHEMBL27453308 0.76 ALDH1A1 (0.52) RAB9ANPC1KDM4EATMMAPT
SCHEMBL27453517 0.75 LMNA (0.48) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL27452421 0.73 MAPT (0.48) RAB9ANPC1KDM4EATMMAPT
SCHEMBL27453610 0.73 KMT2A (0.44) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL27453607 0.73 KMT2A (0.44) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL27453512 0.72 MAPT (0.47) RAB9ANPC1KDM4EATMMAPT
SCHEMBL27453515 0.72 PAX8 (0.50) RAB9ANPC1KDM4EMAPTALDH1A1

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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