SCHEMBL28685441

SCHEMBL28685441

Cc1ccc2[nH]c3ccccc3c(=O)c2c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.57
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
GLA P06280 2/20 0.57
LMNA P02545 1/20 0.57
HPGD P15428 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
NPC1 O15118 1/20 0.56
ABCG2 Q9UNQ0 3/20 0.55
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ABCB1 P08183 1/20 0.47
CASP6 P55212 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
Phosphoric Acid SCHEMBL8024519 0.92 MEN1 (0.49) GAAHTTALDH1A1KDM4EGLA
SCHEMBL29445801 0.92 MEN1 (0.60) GAAHTTALDH1A1KDM4EGLA
SCHEMBL11094675 0.85 MEN1 (0.58) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL29726987 0.85 MEN1 (0.58) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL10345038 0.83 ALDH1A1 (0.74) GAAHTTALDH1A1KDM4EGLA
SCHEMBL11032998 0.82 ABCG2 (0.63) GAAHTTALDH1A1KDM4EGLA
SCHEMBL13560652 0.82 STING1 (0.44) GAAHTTALDH1A1KDM4EGLA
SCHEMBL13560654 0.78 MEN1 (0.58) HTTALDH1A1KDM4ELMNAHPGD
SCHEMBL29370563 0.76 STING1 (0.60) GAAHTTALDH1A1KDM4EGLA
SCHEMBL8643080 0.76 STING1 (0.60) GAAHTTALDH1A1KDM4EGLA

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-112585468-B Methods and reagents for use in a Zika virus immunoassay 美国西门子医学诊断股份有限公司 2024-09-24 CN disclosed
CN-114040919-A Fluorescence labeling nucleic acid and synthetic method thereof 南京金斯瑞生物科技有限公司 2022-02-11 CN disclosed