SCHEMBL29077904

SCHEMBL29077904

CCC#CCn1ncc(-c2ccc(C(F)(F)F)nc2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
TRPV3 Q8NET8 12/20 0.38
PIK3CA P42336 2/20 0.36
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MTOR P42345 1/20 0.35
TRPV4 Q9HBA0 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
SCHEMBL29821025 1.00 KCNH2 (0.40) KCNH2TRPV3PIK3CAMAP4K4MINK1
SCHEMBL29078271 0.82 CTSS (0.39) KCNH2
SCHEMBL29078269 0.82 JAK2 (0.40)
SCHEMBL29078210 0.81 CYP1A2 (0.35)
SCHEMBL29821800 0.81 CYP1A2 (0.35)
SCHEMBL29077838 0.76 KDM4E (0.36) TRPV3
SCHEMBL29077909 0.74 TNF (0.39) TRPV3
SCHEMBL29821089 0.74 TNF (0.39) TRPV3
SCHEMBL26849014 0.68 KCNH2 (0.42) KCNH2TRPV3PIK3CAMAP4K4MINK1
SCHEMBL25408338 0.67 KCNH2 (0.46) KCNH2TRPV3PIK3CAMAP4K4MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745266-A Azole compounds for controlling invertebrate pests FMC公司 2023-09-12 CN claimed
CN-116745266-A Azole compounds for controlling invertebrate pests FMC公司 2023-09-12 CN disclosed