SCHEMBL7682097

SCHEMBL7682097

CNC(CCN)C(N)CCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
PRMT3 O60678 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
PRMT1 Q99873 1/20 0.30
PRMT8 Q9NR22 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
SCHEMBL8371428 0.78 CYP2C9 (0.37) CYP2C9CYP2C19TDP1
SCHEMBL9280222 0.73 CYP2C9 (0.41) CYP2C9CYP2C19TDP1
SCHEMBL3175879 0.73
SCHEMBL16752018 0.72 CYP2C9 (0.38) CYP2C9CYP2C19TDP1PRMT3CARM1
SCHEMBL916301 0.72 GABRR1 (0.32)
SCHEMBL12501989 0.71
SCHEMBL16908937 0.71
SCHEMBL6701801 0.71 MEN1 (0.30) CYP2C19
SCHEMBL8040536 0.70 TDP1 (0.41) CYP2C9CYP2C19TDP1
SCHEMBL9125572 0.69

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-6441174-B1 REACTING PERYLENE-3,4,9,10-TETRACARBOXIMIDE OR DERIVATIVES WITH FORMALDEHYDE TO FORM BIS(HYDROXYMETHYL)PERYLENE-3,4,9,10-TETRACARBOXIMIDE, WHICH FURTHER REACTS WITH A PRECURSOR OF ORGANIC REDICALS CIBA SPECIALTY CHEMICALS CORPORATION 2002-08-27 US disclosed