SCHEMBL2879462

SCHEMBL2879462

CC1CCC(C(=O)N(Cc2cccnc2)c2cc(-c3ccccc3)sc2OC(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.52
MAPT P10636 7/20 0.46
LMNA P02545 2/20 0.46
SLC2A1 P11166 1/20 0.46
TP53 P04637 5/20 0.46
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CPB1 P15086 1/20 0.41

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
SCHEMBL2881334 0.90 CPB1 (0.42) CYP3A4MAPTLMNASLC2A1TP53
SCHEMBL2881551 0.88 CYP3A4 (0.53) CYP3A4MAPTLMNASLC2A1TP53
SCHEMBL3811557 0.87 CPB1 (0.49) CYP3A4LMNAPOLBCPB1
SCHEMBL2881336 0.84 SMN1; SMN2 (0.40) CYP3A4LMNACPB1
SCHEMBL3811147 0.83 CPB1 (0.47) CYP3A4MAPTLMNASLC2A1CPB1
SCHEMBL3815088 0.82 CPB1 (0.43) CYP3A4MAPTTP53CPB1
SCHEMBL3811131 0.82 NR1H4 (0.49) CYP3A4MAPTCPB1
SCHEMBL3811469 0.81 CPB1 (0.43) CPB1
SCHEMBL3807405 0.81 CPB1 (0.43) CYP3A4CPB1
SCHEMBL3807293 0.79 KDM4E (0.45) MAPTLMNACPB1

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
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed