SCHEMBL28512641

SCHEMBL28512641

CC(=O)Oc1cccc2c1c1c(C(N)=O)cccc1n2Cc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 11/20 0.48
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
XBP1 P17861 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PTGS2 P35354 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ESR1 P03372 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
HMGB1 P09429 1/20 0.36
HPGD P15428 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
SCHEMBL29029758 0.89 PLA2G2A (0.49) PLA2G2ALMNAMEN1KMT2ACYP1A2
SCHEMBL29029791 0.86 CA5A (0.37) PLA2G2ALMNAKMT2APTGS2MAPK1
SCHEMBL27844984 0.86 PLA2G2A (0.49) PLA2G2A
SCHEMBL818097 0.83 PLA2G2A (0.65) PLA2G2A
SCHEMBL6691708 0.81 LMNA (0.48) PLA2G2ALMNAMEN1XBP1KMT2A
SCHEMBL29029775 0.79 PARP1 (0.41) PLA2G2AMEN1KMT2APTGS2ALDH1A1
SCHEMBL29029784 0.79 PLA2G2A (0.40) PLA2G2APTGS2
SCHEMBL8080891 0.79 PLA2G2A (0.74) PLA2G2A
SCHEMBL29029761 0.79 AURKA (0.38) PLA2G2AKMT2APTGS2MAPK1ALDH1A1
SCHEMBL29029767 0.78 PLA2G2A (0.50) PLA2G2APTGS2ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116585306-A PLA2 inhibitors for immediate treatment of hymenoptera toxicity and other conditions due to histamine release 奥菲瑞克斯股份有限公司 2023-08-15 CN disclosed
CN-109562098-B PLA2 inhibitors for immediate treatment of hymenoptera toxicity and other conditions due to histamine release 奥菲瑞克斯股份有限公司 2023-04-21 CN disclosed
CN-107249578-B Method for treating envenomation and related pharmaceutical composition, system and kit 奥菲瑞克斯股份有限公司 2021-01-26 CN disclosed