SCHEMBL31661273

SCHEMBL31661273

CCOC(=O)c1nc(Cl)sc1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
TARBP2 Q15633 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.37
NPC1 O15118 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR9 Q9NR96 1/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 1/20 0.37
GLP1R P43220 1/20 0.36

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
SCHEMBL31661270 0.83 ALDH1A1 (0.47) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL31661267 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL3117271 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL31661321 0.81 FBP1 (0.50) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL18039311 0.79 ALDH1A1 (0.44) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL9861374 0.77 ALDH1A1 (0.50) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL2826874 0.77 GAA (0.55) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL1505552 0.75 ALDH1A1 (0.66) ALDH1A1CYP1A2TARBP2GAAMAPT
SCHEMBL26984582 0.74 TARBP2 (0.42) ALDH1A1CYP1A2HDAC4HDAC6HDAC3
SCHEMBL18039308 0.74 ALDH1A1 (0.47) ALDH1A1CYP1A2TARBP2GAAMAPT

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-2025151402-A1 THIAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2025-07-17 WO disclosed