SCHEMBL30409266

SCHEMBL30409266

N#Cc1cccc(Cn2c3cccc(C(N)=O)c3c3c(C(=O)C(=O)O)cccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.48
CCR2 P41597 1/20 0.47
MAPK8 P45983 1/20 0.45
KLKB1 P03952 1/20 0.45
KLK1 P06870 1/20 0.45
FEN1 P39748 1/20 0.43
FAAH O00519 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CFTR P13569 1/20 0.39
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 1/20 0.39
JAK3 P52333 1/20 0.38
MEP1A Q16819 1/20 0.38
MEP1B Q16820 1/20 0.38
PLA2G10 O15496 1/20 0.38
POLB P06746 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL29029771 1.00 ADRA1D (0.48) ADRA1DCCR2MAPK8KLKB1KLK1
SCHEMBL6699063 0.88 ADRA1D (0.49) ADRA1DCCR2MAPK8KLKB1KLK1
SCHEMBL7054203 0.85 ADRA1D (0.49) ADRA1DCCR2MAPK8KLKB1KLK1
SCHEMBL8575180 0.84 PLA2G2A (0.46) ADRA1DPLA2G10CYP19A1
SCHEMBL29862301 0.83 PLA2G2A (0.52) ADRA1DCCR2PLA2G10
SCHEMBL818699 0.83 PLA2G2A (0.52) ADRA1DCCR2PLA2G10
SCHEMBL6774631 0.83 ADRA1D (0.44) ADRA1DCCR2MAPK8KLKB1KLK1
SCHEMBL30411505 0.83 MAPK8 (0.42) MAPK8KLK1FAAHPLA2G10
SCHEMBL29029780 0.83 ADRA1D (0.46) ADRA1DMAPK8KLK1FEN1POLB
SCHEMBL30410966 0.83 ADRA1D (0.46) ADRA1DMAPK8KLK1FEN1POLB

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