SCHEMBL29431576

SCHEMBL29431576

CCSc1cccnc1-c1nc2cc(C(F)(F)F)cc(C#N)c2n1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.36
▸ EIF4EBP1 Q13541 14/20 0.35
▸ PKM P14618 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ MAPK14 Q16539 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
SCHEMBL17309739 1.00 AR (0.36) AREIF4EBP1PKMKDM4EALDH1A1
SCHEMBL14677802 0.85 DDR1 (0.35) MAPK14
SCHEMBL17309730 0.85 MAPK14 (0.33) EIF4EBP1MAPK14
SCHEMBL15929938 0.82 PTGS2 (0.35) EIF4EBP1
SCHEMBL29431654 0.82 PTGS2 (0.35) EIF4EBP1
SCHEMBL14677508 0.80 HTR2B (0.39) KDM4EMAPK14
SCHEMBL29431603 0.79 POLB (0.48) PKMKDM4EALDH1A1LMNAHPGD
SCHEMBL14676724 0.79 POLB (0.48) PKMKDM4EALDH1A1LMNAHPGD
SCHEMBL15868310 0.75 NPC1 (0.35) KDM4ELMNA
SCHEMBL14677382 0.74 NPC1 (0.35) KDM4EALDH1A1LMNAHPGD

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-112021322-B Compositions and methods for controlling pests 住友化学株式会社 2022-04-01 — — CN disclosed
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