SCHEMBL29329653

SCHEMBL29329653

C=C(F)c1cc(F)ccc1Oc1ncnc2c1CCNC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 7/20 0.39
KDR P35968 7/20 0.38
TRPC4 Q9UBN4 2/20 0.37
KCNH2 Q12809 2/20 0.37
TRPA1 O75762 6/20 0.34

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
SCHEMBL29329748 0.87 KDR (0.41) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL29329343 0.82 TRPC5 (0.41) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL30603341 0.80 TRPC5 (0.55) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL21807225 0.80 TRPC5 (0.55) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL29090290 0.80 TRPC5 (0.55) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL29090296 0.80 KDR (0.41) TRPC5KDRTRPC4KCNH2TRPA1
SCHEMBL30603350 0.79 TRPC5 (0.55) TRPC5KDRTRPC4
SCHEMBL29090308 0.79 TRPC5 (0.55) TRPC5KDRTRPC4
SCHEMBL29090295 0.77 HSPB1 (0.40) TRPC5KDRTRPC4KCNH2
SCHEMBL21807310 0.72 KDR (0.38) TRPC5KDRKCNH2TRPA1

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