SCHEMBL6419192

SCHEMBL6419192

CCCCCn1c(=O)sc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.62
CYP2D6 P10635 3/20 0.62
CYP2C19 P33261 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
NPC1 O15118 2/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C9 P11712 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
SIGMAR1 Q99720 1/20 0.61
ATM Q13315 1/20 0.60
HPGD P15428 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL4616279 0.98 NPC1 (0.61) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL4617266 0.95 CYP3A4 (0.64) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL4615852 0.88 L3MBTL1 (0.64) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL2148992 0.84 CYP3A4 (0.67) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL2149958 0.83 NPC1 (0.65) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL2149611 0.83 NPC1 (0.65) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL318427 0.82 L3MBTL1 (0.68) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL4057219 0.82 L3MBTL1 (0.64) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL318582 0.82 L3MBTL1 (0.64) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1
SCHEMBL4230610 0.82 L3MBTL1 (0.65) CYP3A4CYP2D6CYP2C19L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed