SCHEMBL29329068

SCHEMBL29329068

CN/N=C\C(=C(\Cl)C=O)N1CCc2c(ncnc2Sc2ccc(F)cc2C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 4/20 0.38
TRPC4 Q9UBN4 2/20 0.38
P2RX7 Q99572 12/20 0.34
PTPN11 Q06124 1/20 0.33
ENPP2 Q13822 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL29329348 0.91 MKNK1 (0.34) TRPC5P2RX7ENPP2MKNK1
SCHEMBL29330204 0.90 P2RX7 (0.39) TRPC5TRPC4P2RX7PTPN11ENPP2
SCHEMBL29329527 0.88 P2RX7 (0.33) TRPC5P2RX7MKNK1
SCHEMBL29329821 0.87 TRPC5 (0.35) TRPC5PTPN11RBP4
SCHEMBL29329699 0.81 TRPC5 (0.49) TRPC5TRPC4P2RX7
SCHEMBL29330999 0.77 TRPC5 (0.43) TRPC5TRPC4P2RX7
SCHEMBL30603339 0.77 MKNK1 (0.47) TRPC5TRPC4P2RX7MKNK1
SCHEMBL27123762 0.76 TRPC5 (0.44) TRPC5TRPC4P2RX7
SCHEMBL27123748 0.75 TRPC5 (0.45) TRPC5TRPC4P2RX7
SCHEMBL29330913 0.75 P2RX7 (0.36) TRPC5TRPC4P2RX7ENPP2RBP4

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