SCHEMBL29029772

SCHEMBL29029772

CC(=O)Oc1cccc2c1c1c(C(N)=O)cccc1n2Cc1cccc(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.45
KLKB1 P03952 1/20 0.43
KLK1 P06870 1/20 0.43
MAPK8 P45983 1/20 0.41
CCR2 P41597 1/20 0.41
FEN1 P39748 1/20 0.40
FAAH O00519 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PLA2G2A P14555 5/20 0.38
PLK1 P53350 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
SGMS2 Q8NHU3 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL818699 0.85 PLA2G2A (0.52) ADRA1DCCR2PLA2G2APLA2G1B
SCHEMBL29862301 0.85 PLA2G2A (0.52) ADRA1DCCR2PLA2G2APLA2G1B
SCHEMBL27844984 0.85 PLA2G2A (0.49) PLA2G2APLA2G1B
SCHEMBL29029784 0.85 PLA2G2A (0.40) MAPK8PLA2G2APLA2G1B
SCHEMBL6699063 0.83 ADRA1D (0.49) ADRA1DKLKB1KLK1MAPK8CCR2
SCHEMBL30409266 0.82 ADRA1D (0.48) ADRA1DKLKB1KLK1MAPK8CCR2
SCHEMBL29029771 0.82 ADRA1D (0.48) ADRA1DKLKB1KLK1MAPK8CCR2
SCHEMBL29029778 0.82 ATM (0.43) MAPK8FEN1SIRT2PLA2G1B
SCHEMBL7054203 0.81 ADRA1D (0.49) ADRA1DKLKB1KLK1MAPK8CCR2
SCHEMBL7967330 0.81 PLA2G2A (0.52) ADRA1DKLKB1KLK1CCR2PLA2G2A

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-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