SCHEMBL6513100

SCHEMBL6513100

CC(C)c1cc(Br)cc(C(C)C)c1N1C(=O)c2ccc3c4cccc5c(Br)ccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
TLR9 Q9NR96 1/20 0.47
S1PR2 O95136 1/20 0.47
MAPK1 P28482 1/20 0.47
ANPEP P15144 3/20 0.45
DPP4 P27487 3/20 0.45
CYP1B1 Q16678 6/20 0.44
BRD1 O95696 1/20 0.43
TAF1 P21675 1/20 0.43
BRPF1 P55201 1/20 0.43
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL1566950 0.91 ANPEP (0.51) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL6511889 0.90 ANPEP (0.45) TP53L3MBTL1LMNATHRBTLR9
Water SCHEMBL2184079 0.90 ANPEP (0.50) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL6510227 0.88 ANPEP (0.41) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL14562553 0.84 CYP1B1 (0.42) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL1517947 0.83 TP53 (0.58) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL3438530 0.81 ANPEP (0.60) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL29461625 0.81 ANPEP (0.60) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL29369271 0.81 ANPEP (0.60) TP53L3MBTL1LMNATHRBTLR9
SCHEMBL13478139 0.81 ANPEP (0.60) TP53L3MBTL1LMNATHRBTLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916982-B2 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NORTH CAROLINA STATE UNIVERSITY (US) 2005-07-12 US disclosed
WO-2003105237-A1 SYNTHESIS OF PERYLENE-PORPHYRIN BUILDING BLOCKS AND POLYMERS THEREOF FOR THE PRODUCTION OF LIGHT-HARVESTING ARRAYS NORTH CAROLINA STATE UNIVERSITY (US) 2003-12-18 WO disclosed
US-20030075216-A1 Synthesis of perylene-porphyrin building blocks and polymers thereof for the production of light-harvesting arrays NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-04-24 US disclosed