SCHEMBL14029367

SCHEMBL14029367

CCCNc1nc(NCCCN(CC)CC)nc(NCCCN(CC)CC)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
TOP2A P11388 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.44
TLR8 Q9NR97 1/20 0.43
GAA P10253 2/20 0.43
CACNA2D1 P54289 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TP53 P04637 1/20 0.41
SLC29A1 Q99808 1/20 0.41
POLB P06746 1/20 0.40
CCR4 P51679 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KCNH3 Q9ULD8 1/20 0.40

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
SCHEMBL14181384 0.93 TP53 (0.47) KMT2ATOP2ACYP1A2CYP2C19TSHR
SCHEMBL14065592 0.85 CACNA2D1 (0.44) KMT2ATOP2ATSHRTLR8GAA
SCHEMBL22304462 0.85 TOP2A (0.43) KMT2ATOP2ATSHRTLR8GAA
SCHEMBL12087313 0.85 TLR8 (0.51) KMT2ATOP2ATSHRTLR8GAA
SCHEMBL4874795 0.85 KMT2A (0.57) KMT2ATOP2ATSHRGAACACNA2D1
SCHEMBL24700672 0.82 TOP2A (0.42) KMT2ATOP2ATSHRGAACACNA2D1
SCHEMBL14047483 0.82 ALDH1A1 (0.46) KMT2ATOP2ACYP1A2TSHRGAA
SCHEMBL1704387 0.81 GAA (0.44) TOP2ATSHRTLR8GAACACNA2D1
SCHEMBL31436099 0.81 KMT2A (0.56) KMT2ASLC29A1KCNH3
SCHEMBL31436135 0.81 KMT2A (0.56) KMT2ASLC29A1KCNH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863885-B1 CONCENTRATED DYE SOLUTION CLARIANT FINANCE BVI LTD (VG) 2014-12-24 EP disclosed
US-20080264297-A1 Concentrated Dye Solution ARCHROMA IP GMBH (CH) 2008-10-30 US disclosed
US-7371831-B2 Polyazo, disazo, trisazo, triazine, hair and cationic dyes CLARIANT FINANCE (BVI) LIMITED (VG) 2008-05-13 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed
US-20070251030-A1 Concentrated Dye Solution CLARIANT FINANCE (BVI) LIMITED (VG) 2007-11-01 US disclosed