SCHEMBL28136178

SCHEMBL28136178

COc1ccc(Cl)c(-c2ccc3c(c2)CCOC3)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.38
TDP2 O95551 1/20 0.38
PIK3CD O00329 1/20 0.37
METAP2 P50579 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
WNT3A P56704 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
KDM1A O60341 1/20 0.34

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
SCHEMBL19649521 0.81 DRD1 (0.50) DRD2DRD1DRD5DRD3CA1
SCHEMBL22681979 0.75 KCNH2 (0.44) PRMT5WDR77HSP90AA1HSP90AB1DRD2
SCHEMBL10046126 0.75 DRD2 (0.47) PIK3CDDRD2DRD1DRD5DRD3
SCHEMBL28136933 0.74 PTPRC (0.46) CD274TNKS2PDK2
SCHEMBL7777278 0.73 HSP90AA1 (0.50) HSP90AA1HSP90AB1BACE1CA1CA2
SCHEMBL19175041 0.70 SUV39H2 (0.41) PIK3CDHSP90AA1HSP90AB1KDM1A
SCHEMBL18949633 0.69 PTGS2 (0.49) TDP2HSP90AA1HSP90AB1CA1CA2
SCHEMBL19785375 0.69 HSP90AA1 (0.56) HSP90AA1HSP90AB1KDM1ACA1CA2
SCHEMBL28866454 0.69 CYP1A1 (0.53) PRMT5WDR77HSP90AA1HSP90AB1GSTP1
SCHEMBL12093637 0.68 DRD2 (0.47) DRD2DRD1DRD5DRD3CA1

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-106660982-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-05-10 CN disclosed