SCHEMBL4706929

SCHEMBL4706929

CCCCCNc1ccc(NCCCCC)c2c1C(=O)c1c(NCCCCC)ccc(NCCCCC)c1C2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
MEN1 O00255 3/20 0.44
BLM P54132 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
RECQL P46063 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
NSD2 O96028 2/20 0.44
PKM P14618 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
NPC1 O15118 1/20 0.44
SLC22A2 O15244 1/20 0.44
SLC22A1 O15245 1/20 0.44
CACNA1F O60840 1/20 0.44
SLC22A3 O75751 1/20 0.44

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
SCHEMBL16602198 0.94 CYP19A1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL11371344 0.90 CYP19A1 (0.71) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL439386 0.88 MEN1 (0.58) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL30097103 0.88 MEN1 (0.58) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL11865193 0.86 MEN1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL1908099 0.86 MEN1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL7845898 0.86 MEN1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL7855739 0.86 MEN1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL11119733 0.86 MEN1 (0.56) CYP19A1MEN1BLMKMT2AUSP2
SCHEMBL17732422 0.84 CYP19A1 (0.73) CYP19A1MEN1BLMKMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323811-B1 Method for marking hydrocarbons with anthraquinones ROHM & HAAS (US) 2008-05-14 EP disclosed
US-6811575-B2 INVISIBLY MARKING A LIQUID PETROLEUM HYDROCARBON FOR SUBSEQUENT INDENTIFICATION BY ADDING A ANTHRAQUINONE DYE FROM THE GROUP OF 1,4,5,8-TETRASUBSTITUTED ANTHRAQUINONES AND ANTHRAQUINONE DIMERS; ABSORPTION MAXIMUM >700NM ROHM AND HAAS COMPANY 2004-11-02 US disclosed
US-20040102340-A1 Method for marking hydrocarbons with anthraquinone imines HO KIM SANG (US) 2004-05-27 US disclosed
EP-1422284-A2 Method for marking hydrocarbons with anthraquinone imines ROHM AND HAAS COMPANY (US) 2004-05-26 EP disclosed
US-20030126694-A1 Method for marking hydrocarbons with anthraquinones ROHM AND HAAS COMPANY 2003-07-10 US disclosed
EP-1323811-A2 Method for marking hydrocarbons with anthraquinones ROHM AND HAAS COMPANY (US) 2003-07-02 EP disclosed