SCHEMBL6355310

SCHEMBL6355310

CN(C)CCCNC(CCN)CCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT1 Q99873 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
PAOX Q6QHF9 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
SCHEMBL5318948 0.85 TDP1 (0.43) TDP1CYP2C9CYP2C19
SCHEMBL28208452 0.81 TDP1 (0.42) TDP1CYP2C9CYP2C19
SCHEMBL16752079 0.80 TDP1 (0.42) TDP1CYP2C9CYP2C19PRMT3CARM1
SCHEMBL18221733 0.77 DNM1 (0.52) TDP1PRMT3CARM1PRMT6PRMT1
SCHEMBL13976195 0.77 DNM1 (0.52) TDP1PRMT3CARM1PRMT6PRMT1
SCHEMBL20362314 0.74 CA12 (0.38) CYP2C9CYP2C19TSHR
SCHEMBL11184192 0.74 CA12 (0.38) CYP2C9CYP2C19TSHR
SCHEMBL20032065 0.74 DNM1 (0.38) TDP1CYP2C9CYP2C19PRMT3CARM1
SCHEMBL15558978 0.74 DNM1 (0.48) TDP1PRMT3CARM1PRMT6PRMT1
SCHEMBL6137087 0.73 TDP1 (0.44) TDP1CYP2C9CYP2C19PRMT3CARM1

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
US-20050090386-A1 Catalyst blends for producing low thermal desorption polyurethane foams WENDEL STEPHAN H (DE) 2005-04-28 US claimed