SCHEMBL30324813

SCHEMBL30324813

Cc1ccc(C[C@H](CCl)NC(=O)c2c(Oc3cccc(C(F)(F)F)c3)cnc3ccccc23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
BRAF P15056 3/20 0.39
MAPK14 Q16539 3/20 0.39
KDR P35968 2/20 0.39
TNNI3K Q59H18 2/20 0.39
P2RY1 P47900 1/20 0.37
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
PTGER4 P35408 2/20 0.37
CCR2 P41597 3/20 0.36
GAA P10253 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 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
SCHEMBL24103432 1.00 RAB9A (0.39) RAB9ABRAFMAPK14KDRTNNI3K
SCHEMBL29162379 1.00 RAB9A (0.39) RAB9ABRAFMAPK14KDRTNNI3K
SCHEMBL24102590 0.91 RAB9A (0.38) RAB9ABRAFMAPK14KDRTNNI3K
SCHEMBL24102949 0.87 RAB9A (0.38) RAB9AP2RY1EGFRERBB2PTGER4
SCHEMBL24103437 0.87 RAB9A (0.37) RAB9ABRAFMAPK14KDRTNNI3K
SCHEMBL25666279 0.83 RAB9A (0.42) RAB9ABRAFMAPK14KDRTNNI3K
SCHEMBL24102698 0.82 PTGER4 (0.33) KDRERBB2PTGER4
SCHEMBL31719631 0.81 RAB9A (0.39) RAB9AKDRP2RY1PTGER4CCR2
SCHEMBL25865684 0.80 RAB9A (0.32) RAB9AP2RY1
SCHEMBL25864015 0.80 RAB9A (0.32) RAB9AP2RY1

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-116057056-A Azabicyclo-substituted heterocyclic compounds as fungicides 拜耳公司 2023-05-02 CN disclosed
EP-4165038-A1 AZABICYCLYL-SUBSTITUTED HETEROCYCLES AS FUNGICIDES Bayer Aktiengesellschaft (DE) 2023-04-19 EP disclosed