SCHEMBL1478995

SCHEMBL1478995

C=CCNc1ccc(NCC=C)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
KMT2A Q03164 7/20 0.54
MEN1 O00255 6/20 0.54
MAPK1 P28482 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
LMNA P02545 4/20 0.54
TP53 P04637 4/20 0.54
USP2 O75604 3/20 0.54
RECQL P46063 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
BLM P54132 3/20 0.54
CSNK2A2 P19784 3/20 0.54
CSNK2B P67870 3/20 0.54
CSNK2A1 P68400 3/20 0.54
CSNK2A3 Q8NEV1 3/20 0.54
CYP3A4 P08684 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NSD2 O96028 3/20 0.54
ALOX15 P16050 2/20 0.54

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
SCHEMBL11046399 1.00 CYP19A1 (0.57) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL1906406 0.89 KMT2A (0.56) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL10754151 0.84 CYP19A1 (0.41) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL10753138 0.84 CYP19A1 (0.41) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL9215538 0.80 CYP19A1 (0.62) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL5420918 0.77 KMT2A (0.57) KMT2AMEN1MAPK1TDP1LMNA
SCHEMBL11806000 0.77 CYP19A1 (0.62) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL19135753 0.76 CSNK2A2 (0.59) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL10883313 0.76 KMT2A (0.49) CYP19A1KMT2AMEN1MAPK1TDP1
SCHEMBL30439813 0.75 MEN1 (0.81) CYP19A1KMT2AMEN1MAPK1TDP1

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
US-7915048-B2 Adding 1,4-di-(2-ethylhexylamino)-5,8-dihydroxyanthraquinone-type dyes to liquid petroleum; combination of dyes for digitally coding/marking petroleum products; near-infrared absorption ROHM AND HAAS COMPANY (US) 2011-03-29 US disclosed
EP-1486554-B1 Method for marking hydrocarbons with substituted anthraquinones ROHM & HAAS (US) 2009-11-04 EP disclosed
US-20040250469-A1 Method for marking hydrocarbons with substituted anthraquinones ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1486554-A1 Method for marking hydrocarbons with substituted anthraquinones Rohm and Haas Company (US) 2004-12-15 EP disclosed