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SCHEMBL29330275

SCHEMBL29330275

CC(C)(C)OC(=O)N1CCc2c(ncnc2Sc2ccc(F)cc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 11/20 0.48
▸ P2RX7 Q99572 1/20 0.45
▸ ESR2 Q92731 1/20 0.41
▸ MET P08581 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ TRPC5 Q9UL62 1/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ SLC34A1 Q06495 1/20 0.38
▸ NR1H2 P55055 1/20 0.38

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
SCHEMBL30603339 0.88 MKNK1 (0.47) MKNK1P2RX7METHPGDSTRPC5
SCHEMBL30603333 0.78 GPR119 (0.41) MKNK1P2RX7
SCHEMBL30603337 0.78 GPR119 (0.41) MKNK1P2RX7
SCHEMBL29329976 0.78 PARP1 (0.42) MKNK1P2RX7ESR2HPGDSTRPC5
SCHEMBL1497077 0.76 MKNK1 (0.48) MKNK1ESR2P2RX3NR1H2
SCHEMBL29899537 0.76 MKNK1 (0.46) MKNK1ESR2P2RX3NR1H2
SCHEMBL29330204 0.76 P2RX7 (0.39) MKNK1P2RX7TRPC5
SCHEMBL29330122 0.76 MKNK1 (0.45) MKNK1P2RX7ESR2METTRPC5
SCHEMBL21807381 0.74 TRPC5 (0.58) MKNK1METTRPC5NR1H2
SCHEMBL29329746 0.74 MET (0.47) MKNK1P2RX7METTRPC5

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