SCHEMBL29913593

SCHEMBL29913593

Oc1ccc2nnn(O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TLR9 Q9NR96 1/20 0.44
CYP19A1 P11511 1/20 0.40
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38
DGAT1 O75907 1/20 0.37
CTNNB1 P35222 4/20 0.37
RPS6KA3 P51812 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.36

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
SCHEMBL16863946 0.83 PKM (0.58) POLBMAPK1ATMALDH1A1PKM
Water SCHEMBL5279559 0.82 PKM (0.56) POLBMAPK1ATMALDH1A1PKM
SCHEMBL17103034 0.78 POLB (0.53) POLBMAPK1ATMALDH1A1PKM
SCHEMBL3279375 0.78 ATM (0.53) POLBMAPK1ATMALDH1A1PKM
SCHEMBL7220175 0.78 POLB (0.53) POLBMAPK1ATMALDH1A1PKM
SCHEMBL83509 0.78 POLB (0.53) POLBMAPK1ATMALDH1A1PKM
SCHEMBL3192611 0.78 KEAP1 (0.53) POLBMEN1USP2KMT2AKEAP1
SCHEMBL3278850 0.78 MAPK1 (0.53) POLBMAPK1ATMALDH1A1PKM
SCHEMBL29373587 0.78 POLB (0.53) POLBMAPK1ATMALDH1A1PKM
Hydrochloric Acid SCHEMBL30439745 0.76 POLB (0.52) POLBMAPK1ATMALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117384581-B Optical cement with low volume shrinkage and preparation method thereof 深圳市欣恒坤科技有限公司 2024-09-20 CN claimed
CN-115260584-B Environment-friendly stabilizer for new energy charging cable 广东尚诺新材料科技有限公司 2024-04-02 CN claimed
CN-117384581-A Optical cement with low volume shrinkage and preparation method thereof 深圳市欣恒坤科技有限公司 2024-01-12 CN claimed
CN-115260584-A Environment-friendly stabilizer for new energy charging cable 广东尚诺新材料科技有限公司 2022-11-01 CN claimed
CN-117384581-B Optical cement with low volume shrinkage and preparation method thereof 深圳市欣恒坤科技有限公司 2024-09-20 CN disclosed
CN-115260584-B Environment-friendly stabilizer for new energy charging cable 广东尚诺新材料科技有限公司 2024-04-02 CN disclosed
CN-117384581-A Optical cement with low volume shrinkage and preparation method thereof 深圳市欣恒坤科技有限公司 2024-01-12 CN disclosed
CN-115260584-A Environment-friendly stabilizer for new energy charging cable 广东尚诺新材料科技有限公司 2022-11-01 CN disclosed