SCHEMBL3077536

SCHEMBL3077536

O=C(O)c1ccc2c3ccc(C(=O)O)c4c(C(=O)OC(=O)c5cc(Br)c6c7ccc(C(=O)O)c8c(C(=O)O)ccc(c9ccc(C(=O)O)c5c96)c87)cc(Br)c(c5ccc(C(=O)O)c1c25)c43

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 2/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PARP1 P09874 1/20 0.31
HSD17B10 Q99714 2/20 0.31
AKR1C4 P17516 2/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
AKR1C1 Q04828 2/20 0.31
TSHR P16473 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL4274148 0.95 CYP1A2 (0.44) CYP1A2KDM4ELCKFYNMEN1
SCHEMBL27725966 0.89 CYP1A2 (0.50) CYP1A2KDM4ELCKFYNMEN1
SCHEMBL148218 0.85 CYP1A2 (0.54) CYP1A2KDM4ELCKFYNMEN1
SCHEMBL3723970 0.84 CYP1A2 (0.52) CYP1A2KDM4ELCKFYNMEN1
SCHEMBL30621726 0.82 CYP1A2 (0.42) CYP1A2KDM4EMEN1KMT2ARXFP1
SCHEMBL31336580 0.82 CYP1A2 (0.42) CYP1A2KDM4EMEN1KMT2ARXFP1
SCHEMBL2434013 0.82 CYP1A2 (0.58) CYP1A2KDM4EMEN1KMT2APARP1
SCHEMBL16588884 0.79 CYP1A2 (0.40) CYP1A2KDM4EMEN1KMT2ARXFP1
SCHEMBL31202812 0.78 CYP1A2 (0.45) CYP1A2KDM4EMEN1KMT2ARXFP1
SCHEMBL31336416 0.78 CYP1A2 (0.45) CYP1A2KDM4EMEN1KMT2ARXFP1

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