SCHEMBL28840799

SCHEMBL28840799

ClCc1ccc2c(c1)COCC2

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
PIK3CD O00329 1/20 0.34
HTR6 P50406 1/20 0.32

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
SCHEMBL23536305 0.84 CHRM4 (0.32)
SCHEMBL21382554 0.81 PRMT5 (0.40) PRMT5WDR77PIK3CD
SCHEMBL9123053 0.81 PRMT5 (0.38) PRMT5WDR77PIK3CDHTR6
SCHEMBL21382504 0.81 PRMT5 (0.38) PRMT5WDR77PIK3CDHTR6
SCHEMBL10773358 0.78 ALDH1A1 (0.36)
SCHEMBL21514917 0.77 PRMT5 (0.36) PRMT5WDR77PIK3CD
SCHEMBL28840767 0.77 PRMT5 (0.38) PRMT5WDR77PIK3CD
SCHEMBL29991367 0.77 HRH3 (0.38) PRMT5WDR77
SCHEMBL24253567 0.77 GABRA1 (0.39) PRMT5WDR77PIK3CD
SCHEMBL28840764 0.76 AKR1B1 (0.46) PRMT5WDR77

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed