SCHEMBL29612550

SCHEMBL29612550

CCc1nn(COCC[Si](C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.42
NPC1 O15118 1/20 0.34
ELANE P08246 2/20 0.32
MAPT P10636 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
F2RL1 P55085 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL28730648 1.00 DGAT1 (0.42) DGAT1NPC1ELANEMAPTHTR2A
SCHEMBL23042585 0.85 NPC1 (0.36) DGAT1NPC1ELANEMAPTHTR2A
SCHEMBL29612449 0.85 NPC1 (0.36) DGAT1NPC1ELANEMAPTHTR2A
SCHEMBL4312796 0.85 DGAT1 (0.43) DGAT1NPC1ELANEMAPTDYRK1A
SCHEMBL2030421 0.84 DGAT1 (0.43) DGAT1NPC1ELANEMAPTDYRK1A
SCHEMBL20163415 0.84 DGAT1 (0.47) DGAT1NPC1ELANEMAPTF2RL1
SCHEMBL3355074 0.84 DGAT1 (0.43) DGAT1NPC1ELANEMAPTDYRK1A
SCHEMBL23042316 0.82 DGAT1 (0.44) DGAT1NPC1ELANEMAPTHTR2A
SCHEMBL30459885 0.82 DGAT1 (0.34) DGAT1NPC1
SCHEMBL17682976 0.82 DGAT1 (0.34) DGAT1NPC1

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
CN-114430743-A Thyroid hormone receptor beta agonist compounds 拓臻制药公司 2022-05-03 CN disclosed