SCHEMBL6137091

SCHEMBL6137091

CCN(CC)CCCNNCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
PAOX Q6QHF9 2/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
DNM1 Q05193 4/20 0.39
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC2A1 P11166 1/20 0.34
GAA P10253 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6860095 0.93 TDP1 (0.40) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL7769246 0.86 TDP1 (0.58) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL28810241 0.84 ALDH1A1 (0.53) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL542772 0.82 ALDH1A1 (0.50) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL19909604 0.82 ALDH1A1 (0.59) ALDH1A1TSHRDNM1SLC2A1
SCHEMBL4672998 0.82 ALDH1A1 (0.50) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL7284901 0.80 PRMT3 (0.43) ALDH1A1TSHRDNM1PRMT3CARM1
SCHEMBL13889885 0.80 TDP1 (0.44) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL16393867 0.80 DNM1 (0.55) TDP1PAOXALDH1A1TSHRDNM1
SCHEMBL21430006 0.80 PRMT3 (0.46) TDP1ALDH1A1TSHRDNM1PRMT3

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
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