SCHEMBL7198534

SCHEMBL7198534

O=C1CCC(=O)N1O.O=S(=O)(O)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CTRB1 P17538 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 3/20 0.36
ERBB2 P04626 1/20 0.36
FYN P06241 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
AHR P35869 1/20 0.36
ERCC1 P07992 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
TTR P02766 2/20 0.35
FABP4 P15090 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 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
SCHEMBL139959 0.84 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL29623330 0.84 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL29825144 0.84 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL28203347 0.84 AURKA (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL592128 0.83 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
Water SCHEMBL29714759 0.83 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL592126 0.83 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
SCHEMBL18205264 0.83 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11162639 0.83 CTRB1 (0.50) AURKAAURKBCTRB1ALDH1A1HPGD
Water SCHEMBL14688267 0.83 AURKA (0.49) AURKAAURKBCTRB1ALDH1A1HPGD

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
CN-108026575-B Method for amplifying nucleic acid sequence 哈佛学院董事及会员团体 2022-08-19 CN disclosed
US-20030087239-A1 Target activated nucleic acid biosensor and methods of using same ARCHEMIX CORPORATION 2003-05-08 US disclosed