SCHEMBL6137087

SCHEMBL6137087

CCN(CC)C(CCN)NCCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
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
SCHEMBL18040472 0.82 GNAI3 (0.35) CYP2C9
SCHEMBL8987402 0.79 CA12 (0.41) TDP1CYP2C9CYP2C19
SCHEMBL3914566 0.79 CA12 (0.41) TDP1CYP2C9CYP2C19
SCHEMBL3377833 0.76 CYP2C9 (0.34) TDP1CYP2C9CYP2C19
SCHEMBL8589615 0.74
SCHEMBL27418124 0.74 TDP1 (0.46) TDP1CYP2C9CYP2C19PRMT3CARM1
SCHEMBL9746468 0.74 CYP2C9 (0.46) TDP1CYP2C9CYP2C19PRMT3CARM1
SCHEMBL6355310 0.73 TDP1 (0.48) TDP1CYP2C9CYP2C19PRMT3CARM1
SCHEMBL7769249 0.71 TDP1 (0.36) TDP1CYP2C9CYP2C19
SCHEMBL14715284 0.70 PRMT3 (0.42) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0572354-B1 Immobilized buffered gels and membranes of hydroxy groups containing polymers ALIGENA AG (CH) 1998-01-07 EP claimed
EP-1572809-A1 METHOD FOR THE PRODUCTION OF PHTHALOCYANINE PIGMENT PREPARATIONS Clariant GmbH (DE) 2005-09-14 EP disclosed
WO-2004052996-A1 METHOD FOR THE PRODUCTION OF PHTHALOCYANINE PIGMENT PREPARATIONS CLARIANT GMBH (DE) 2004-06-24 WO disclosed
US-6402990-B1 AMINO- AND/OR HYDROXYALKYLAMINO COMPOUND(S), WHICH ARE PARTIALLY OR COMPLETELY NEUTRALIZED WITH ONE OR MORE INORGANIC ACID(S) AND/OR AROMATIC CARBOXYLIC ACID(S); SURFACTANTS; ORGANOSILICONES AS WATER REPELLENT SIKA AG, VORM, KASPAR WINKLER & CO. (CH) 2002-06-11 US disclosed