SCHEMBL30567503

SCHEMBL30567503

[2H]c1cc(C(F)(F)F)ccc1-c1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 6/20 0.39
▸ EPHB4 P54760 1/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ NPBWR1 P48145 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32

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
SCHEMBL5612882 0.88 KIF11 (0.45) KIF11EPHB4NISCHGFERMKNK1
SCHEMBL31144931 0.74 IKBKB (0.37) MAOBRAB9A
SCHEMBL28320828 0.73 NFE2L2 (0.43) TRPV1MAOBKDM4ENPSR1NPC1
SCHEMBL5612780 0.72 IDO1 (0.54) NOTUMMAOBKDM4EMEN1KMT2A
SCHEMBL13078874 0.72 METAP2 (0.32) NPC1RAB9AATM
SCHEMBL12989125 0.71 SCN5A (0.47) NISCHNOTUMSCN5AKDM4ENPC1
SCHEMBL30567505 0.71 IDO1 (0.56) NOTUM
SCHEMBL6167596 0.70 XDH (0.47) KIF11NISCHNOTUMKDM4EMEN1
SCHEMBL21776857 0.70 NOTUM (0.53) KIF11NOTUM
SCHEMBL28321641 0.69 MAPT (0.41) NISCHKDM4EMEN1KMT2ANPC1

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