SCHEMBL3077539

SCHEMBL3077539

O=C(O)c1ccc2c3ccc4c5c(cc(Br)c(c6ccc(C(=O)O)c1c26)c53)C(=O)OC4=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.50
CYP1A2 P05177 2/20 0.37
CA12 O43570 5/20 0.34
CA7 P43166 5/20 0.34
CA1 P00915 4/20 0.34
CA4 P22748 2/20 0.34
BCL2 P10415 1/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 1/20 0.33
RECQL P46063 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
CASP6 P55212 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31

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
SCHEMBL2785738 0.95 TYMS (0.50) TYMSCYP1A2CA12CA7CA1
SCHEMBL29448335 0.86 TYMS (0.65) TYMSCYP1A2CA12CA7CA1
SCHEMBL234674 0.86 TYMS (0.65) TYMSCYP1A2CA12CA7CA1
SCHEMBL29448334 0.86 TYMS (0.65) TYMSCYP1A2CA12CA7CA1
Potassium SCHEMBL7487575 0.84 TYMS (0.63) TYMSCYP1A2CA12CA7CA1
SCHEMBL32670397 0.84 TYMS (0.41) TYMSBCL2ALDH1A1POLBTDP1
SCHEMBL4324585 0.84 TYMS (0.41) TYMSBCL2ALDH1A1POLBTDP1
SCHEMBL29580210 0.84 TYMS (0.41) TYMSBCL2ALDH1A1POLBTDP1
SCHEMBL17929970 0.83 TYMS (0.40) TYMS
SCHEMBL9446933 0.83 TYMS (0.49) TYMSCYP1A2CA12CA7CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795433-B2 Methods for preparing perylene/perinone pigments SUN CHEMICAL CORPORATION (US) 2010-09-14 US disclosed
US-20080139813-A1 METHODS FOR PREPARING PERYLENE/PERINONE PIGMENTS SUN CHEMICAL CORPORATION (US) 2008-06-12 US disclosed