SCHEMBL29490273

SCHEMBL29490273

CC(=O)c1ccc2ncn(C3CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
HSD17B10 Q99714 1/20 0.53
HPGD P15428 8/20 0.49
ALDH1A1 P00352 7/20 0.49
NPC1 O15118 1/20 0.49
FGFR1 P11362 1/20 0.48
TP53 P04637 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
IDO1 P14902 1/20 0.44
KCNH2 Q12809 1/20 0.44
FLT3 P36888 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL22862454 1.00 GAA (0.53) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL22862457 0.90 GAA (0.66) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497269 0.87 GAA (0.70) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL29490186 0.83 GAA (0.45) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL22862456 0.83 GAA (0.45) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL30497313 0.81 GAA (0.75) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL3352200 0.80 GAA (0.61) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL4293328 0.79 FLT3 (0.48) GAAHSD17B10HPGDALDH1A1NPC1
SCHEMBL16602284 0.76 ALDH1A1 (0.53) GAAHPGDALDH1A1NPC1FGFR1
SCHEMBL4743122 0.76 DRD2 (0.44) GAAHSD17B10HPGDALDH1A1NPC1

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
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 EP disclosed