SCHEMBL4083018

SCHEMBL4083018

CNCCN(C)CCNCCO

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
PRMT1 Q99873 1/20 0.44
PRMT8 Q9NR22 1/20 0.44
SIGMAR1 Q99720 2/20 0.39
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL8940846 0.86 MAPT (0.39) CYP2C9CYP2C19TDP1MAPT
SCHEMBL3316611 0.83
SCHEMBL15189352 0.83 PRMT1 (0.50) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL25792055 0.82 CYP2C9 (0.33) CYP2C9CYP2C19TDP1MAPT
SCHEMBL8503680 0.81 PRMT1 (0.70) PRMT3CARM1PRMT6PRMT1PRMT8
Diethanolamine SCHEMBL27473413 0.80 MAPT (0.43) CYP2C9CYP2C19TDP1MAPT
SCHEMBL1697723 0.80 PRMT1 (0.65) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL2750873 0.79 PRMT3 (0.46) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL13752280 0.79 CYP2C9 (0.34) CYP2C9CYP2C19TDP1MAPT
SCHEMBL12571527 0.79 PRMT3 (0.46) PRMT3CARM1PRMT6PRMT1PRMT8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035464-A1 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS BASF SE (DE) 2009-03-18 EP disclosed
WO-2007147857-A1 1,2-DITHIOL-3-THIONES AS CHAIN-TRANSFER AGENTS IN FREE-RADICAL POLYMERIZATION REACTIONS BASF SE (DE) 2007-12-27 WO disclosed