SCHEMBL22734809

SCHEMBL22734809

c1csc(-c2cscc2-c2ccsc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.42
CYP2B6 P20813 3/20 0.42
CYP2E1 P05181 2/20 0.42
FYN P06241 1/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 4/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
LTA4H P09960 2/20 0.36
TDO2 P48775 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL22734783 0.85 KDM4E (0.44) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL12270266 0.84 KCNH2 (0.41) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL10717908 0.82 CYP2A6 (0.48) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL769338 0.81 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1FYNCYP3A4
SCHEMBL22734811 0.81 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL22734794 0.78 FYN (0.40) CYP2A6CYP2B6CYP2E1FYNCYP3A4
SCHEMBL22734784 0.78 FYN (0.40) CYP2A6CYP2B6CYP2E1FYNCYP3A4
SCHEMBL12270153 0.74 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9
SCHEMBL5175466 0.74 KCNH2 (0.45) CYP2A6FYNCYP3A4CYP2C9CYP2C19
SCHEMBL13857515 0.74 FYN (0.37) CYP2A6CYP2B6CYP2E1FYNCYP3A4

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
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US claimed
US-11605813-B2 Silicon-based energy storage devices with functional terthiophene compound or thiophene oligomer compound containing electrolyte additives ENEVATE CORPORATION (US) 2023-03-14 US disclosed
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed
US-20200388836-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH FUNCTIONAL TERTHIOPHENE COMPOUND OR THIOPHENE OLIGOMER COMPOUND CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2020-12-10 US disclosed