SCHEMBL4083020

SCHEMBL4083020

CN(C)CCNCCNCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.44
PRMT3 O60678 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
PRMT1 Q99873 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
PAOX Q6QHF9 1/20 0.41
ANPEP P15144 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL863534 0.97
Diethanolamine SCHEMBL23648063 0.89 MAPT (0.53) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL65120 0.86 CYP2C19 (0.68) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL347138 0.86 CYP2C19 (0.68) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL18576486 0.84 CYP2C9 (0.54) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL141928 0.84 TDP1 (0.62) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL344526 0.83 CYP2C9 (0.72) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL2183172 0.82 CYP2C9 (0.58) CYP2C9CYP2C19MAPTTDP1PRMT3
Hydrochloric Acid SCHEMBL7893139 0.82 TDP1 (0.60) CYP2C9CYP2C19MAPTTDP1PRMT3
SCHEMBL18576485 0.80 CYP2C9 (0.50) CYP2C9CYP2C19MAPTTDP1PRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198028-A1 1,2-dithiol-3-thiones as chain-transfer agents in free-radical polymerization reactions BASF SE (DE) 2009-08-06 US disclosed
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