SCHEMBL28539710

SCHEMBL28539710

Cc1ccc2cc3ccccc3cc2c1C.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.61
CYP2A6 P11509 6/20 0.61
TSHR P16473 4/20 0.61
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 5/20 0.47
HPGD P15428 3/20 0.47
HIF1A Q16665 3/20 0.44
CYP1B1 Q16678 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NQO1 P15559 1/20 0.39
FYN P06241 2/20 0.39
ACHE P22303 2/20 0.39
AHR P35869 2/20 0.39
MAPT P10636 2/20 0.39
LCK P06239 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
SLC6A2 P23975 1/20 0.39
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL460085 0.98 CYP1A2 (0.64) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29726949 0.98 CYP1A2 (0.64) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL686340 0.96 CYP1A2 (0.61) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL9699573 0.96 CYP1A2 (0.61) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Boric Acid SCHEMBL28184389 0.90 CYP1A2 (0.55) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL15412757 0.86 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL29060624 0.85 CYP1A2 (0.50) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL28412917 0.85 CYP1A2 (0.59) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
Fluorene SCHEMBL28279465 0.84 CYP1A2 (0.48) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL30892865 0.83 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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
CN-112490394-B Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2022-03-25 CN claimed
CN-112490394-A Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2021-03-12 CN claimed
CN-112490394-B Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2022-03-25 CN disclosed
CN-112490394-A Chemical prelithiation method for graphite electrode of lithium ion battery 武汉大学 2021-03-12 CN disclosed