SCHEMBL3404463

SCHEMBL3404463

CNCCOC(CCN)CCN(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT1 Q99873 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL10801901 0.73 CYP2C9 (0.34) CYP2C9CYP2C19TDP1
SCHEMBL12076978 0.70 PRMT3 (0.48) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL1333661 0.66 PRMT3 (0.60) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL29743320 0.66 LMNA (0.34) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL3421349 0.64 HTR1D (0.32)
SCHEMBL8592647 0.63
SCHEMBL16752018 0.63 CYP2C9 (0.38) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL927367 0.63 PRMT3 (0.45) PRMT3CARM1PRMT6PRMT1PRMT8
SCHEMBL24386278 0.63 EPHX1 (0.38)
SCHEMBL737040 0.62 PRMT3 (0.55) 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-2257592-A2 REDUCTION OF ALDEHYDES IN AMINES Huntsman Petrochemical LLC (US) 2010-12-08 EP disclosed
WO-2009117479-A2 REDUCTION OF ALDEHYDES IN AMINES HUNTSMAN PETROCHEMICAL CORPORATION (US) 2009-09-24 WO disclosed