SCHEMBL29329810

SCHEMBL29329810

COC(=O)c1nc2c(c(Oc3ccc(F)cc3C(F)(F)F)n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 6/20 0.47
TRPC4 Q9UBN4 2/20 0.43
MKNK1 Q9BUB5 4/20 0.42
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
MET P08581 1/20 0.39
HPGDS O60760 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
NR1H2 P55055 1/20 0.37
MTOR P42345 1/20 0.36
MAPT P10636 1/20 0.36
ESR2 Q92731 1/20 0.36
F12 P00748 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35

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
SCHEMBL21807316 0.87 MKNK1 (0.41) TRPC5MKNK1PARP1TNKS2PARP2
SCHEMBL21807357 0.87 TRPC5 (0.51) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL21807246 0.86 TRPC5 (0.45) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL29329811 0.86 TRPC5 (0.51) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL21807317 0.85 TRPC5 (0.46) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL21807381 0.83 TRPC5 (0.58) TRPC5TRPC4MKNK1METNR1H2
SCHEMBL21807481 0.83 TRPC5 (0.44) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL21807469 0.80 TRPC5 (0.44) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL31574269 0.80 TRPC5 (0.44) TRPC5TRPC4MKNK1PARP1TNKS2
SCHEMBL24433277 0.79 TRPC5 (0.45) TRPC5TRPC4MKNK1PARP1TNKS2

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