SCHEMBL6511889

SCHEMBL6511889

CC(C)c1cc(Br)cc(C(C)C)c1N1C(=O)c2ccc3c4cccc5cccc(c6ccc(c2c36)C1=O)c54

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.45
DPP4 P27487 3/20 0.45
MAPK1 P28482 2/20 0.41
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KMT2A Q03164 2/20 0.38
BRD1 O95696 2/20 0.38
TAF1 P21675 2/20 0.38
BRPF1 P55201 2/20 0.38
TP53 P04637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TLR9 Q9NR96 1/20 0.37
S1PR2 O95136 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL6513100 0.90 TP53 (0.47) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL1679993 0.89 ANPEP (0.53) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL29369271 0.81 ANPEP (0.60) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL18071847 0.81 ANPEP (0.60) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL3438530 0.81 ANPEP (0.60) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL13478139 0.81 ANPEP (0.60) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL29461625 0.81 ANPEP (0.60) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL14562607 0.81 ANPEP (0.42) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL1566950 0.81 ANPEP (0.51) ANPEPDPP4MAPK1NR1H2NR1H3
SCHEMBL17151424 0.80 ANPEP (0.56) ANPEPDPP4MAPK1NR1H2NR1H3

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