SCHEMBL3090901

SCHEMBL3090901

O=C(O)c1ccc2c3c(Cl)c(Cl)c4c5c(c(Cl)c(Cl)c(c6ccc(C(=O)O)c1c26)c53)C(=O)OC4=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
TYMS P04818 1/20 0.41
ALDH1A1 P00352 6/20 0.36
TSHR P16473 4/20 0.36
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
WDR5 P61964 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HSD17B10 Q99714 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
FTO Q9C0B1 1/20 0.32
GNG2 P59768 1/20 0.31
GNB1 P62873 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31
CYP2C9 P11712 1/20 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
SCHEMBL3084206 0.88 TYMS (0.49) CYP1A2TYMSALDH1A1TSHRCSNK2A2
SCHEMBL3084675 0.78 TYMS (0.45) CYP1A2TYMSALDH1A1TSHRMEN1
SCHEMBL2427468 0.76 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRCSNK2A2CSNK2B
SCHEMBL29098754 0.73 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRKDM4EMEN1
SCHEMBL234674 0.71 TYMS (0.65) CYP1A2TYMSALDH1A1KDM4EMEN1
SCHEMBL29448335 0.71 TYMS (0.65) CYP1A2TYMSALDH1A1KDM4EMEN1
SCHEMBL1470771 0.71 ALDH1A1 (0.43) ALDH1A1TSHRHTT
SCHEMBL29448334 0.71 TYMS (0.65) CYP1A2TYMSALDH1A1KDM4EMEN1
Potassium SCHEMBL7487575 0.70 TYMS (0.63) CYP1A2TYMSALDH1A1KDM4EMEN1
SCHEMBL3090897 0.70 CYP1A2 (0.40) CYP1A2ALDH1A1TSHRCSNK2A2CSNK2B

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