SCHEMBL31661235

SCHEMBL31661235

CCOC(=O)c1nc(N)sc1CC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
CYP1A2 P05177 1/20 0.69
FBP1 P09467 1/20 0.56
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FHIT P49789 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 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
SCHEMBL31661345 0.87 FBP1 (0.72) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL535765 0.85 L3MBTL1 (0.56) ALDH1A1CYP1A2FBP1HPGDMAPT
SCHEMBL28733822 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL4135529 0.83 FBP1 (0.80) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL31661267 0.83 ALDH1A1 (0.60) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL289441 0.83 ALDH1A1 (0.73) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL29235553 0.82 FBP1 (0.59) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL594323 0.82 ALDH1A1 (0.58) ALDH1A1CYP1A2FBP1HPGDLMNA
Bromide SCHEMBL16637333 0.81 ALDH1A1 (0.71) ALDH1A1CYP1A2FBP1HPGDLMNA
SCHEMBL4971356 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDLMNAMAPT

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