SCHEMBL29077909

SCHEMBL29077909

CCC#CCn1ncc(-c2cncc(C(F)(F)F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
CYP11B2 P19099 9/20 0.36
CYP11B1 P15538 4/20 0.36
TRPV3 Q8NET8 1/20 0.34
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
GPR55 Q9Y2T6 1/20 0.33
IDH1 O75874 1/20 0.32
UTRN P46939 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL29821089 1.00 TNF (0.39) TNFCYP11B2CYP11B1TRPV3PARP10
SCHEMBL29078271 0.82 CTSS (0.39)
SCHEMBL29077838 0.76 KDM4E (0.36) TRPV3
SCHEMBL29077904 0.74 KCNH2 (0.40) TRPV3
SCHEMBL29821025 0.74 KCNH2 (0.40) TRPV3
SCHEMBL25538523 0.69 TNF (0.47) TNFCYP11B2CYP11B1TRPV3PARP10
SCHEMBL29078269 0.69 JAK2 (0.40) CYP11B2GRIN1GRIN2B
SCHEMBL29821800 0.68 CYP1A2 (0.35) GRIN2B
SCHEMBL30567498 0.68 GRM5 (0.40)
SCHEMBL29077848 0.68 GRM5 (0.40)

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