SCHEMBL29329900

SCHEMBL29329900

N=C/C(=C(/Cl)C(N)=O)N1CCc2c(nc(N)nc2Sc2ccc(F)cc2C(F)(F)F)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.37
PTPN11 Q06124 1/20 0.36
RBP4 P02753 2/20 0.32
GRM2 Q14416 2/20 0.32
TRPC5 Q9UL62 2/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL29330133 0.91 PTPN11 (0.35) P2RX7PTPN11RBP4GRM2TRPC5
SCHEMBL29330071 0.89 PTPN11 (0.34) P2RX7PTPN11RBP4GRM2TRPC5
SCHEMBL29328670 0.80 TRPC5 (0.34) P2RX7PTPN11RBP4TRPC5DPP4
SCHEMBL29330195 0.77 TRPC5 (0.33) RBP4TRPC5
SCHEMBL29330913 0.74 P2RX7 (0.36) P2RX7RBP4TRPC5
SCHEMBL29328686 0.73 P2RX7 (0.36) P2RX7TRPC5DPP4DPP8DPP7
SCHEMBL29329976 0.72 PARP1 (0.42) P2RX7PTPN11TRPC5
SCHEMBL29330191 0.72 MKNK1 (0.43) PTPN11RBP4
SCHEMBL29329902 0.70 TRPC5 (0.58) PTPN11TRPC5
SCHEMBL30603339 0.66 MKNK1 (0.47) P2RX7TRPC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400500-A1 HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed