SCHEMBL28864428

SCHEMBL28864428

CN=C(C#N)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.35
ACHE P22303 1/20 0.35
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
NCOA1 Q15788 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7535412 0.84 ALDH1A1 (0.41) TSHRHPGDACHEERCC5FEN1
SCHEMBL7535407 0.84 ALDH1A1 (0.41) TSHRHPGDACHEERCC5FEN1
SCHEMBL29203894 0.82 ALDH1A1 (0.41) TSHRHPGDACHEERCC5FEN1
SCHEMBL30886715 0.82 ALDH1A1 (0.41) TSHRHPGDACHEERCC5FEN1
SCHEMBL31454814 0.79 RAB9A (0.37) TSHRSMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7536188 0.79 RAB9A (0.37) TSHRSMN1; SMN2KDM4EMAPTNPC1
SCHEMBL9231759 0.79 RAB9A (0.37) TSHRSMN1; SMN2KDM4EMAPTNPC1
SCHEMBL7536194 0.79 RAB9A (0.37) TSHRSMN1; SMN2KDM4EMAPTNPC1
SCHEMBL29203893 0.78 MAPT (0.38) TSHRHPGDHTTSMN1; SMN2KDM4E
SCHEMBL18391407 0.78 ALDH1A1 (0.36) TSHRACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110396054-B Green synthesis method of kresoxim-methyl 京博农化科技有限公司 2022-09-20 CN claimed
CN-119638597-B Synthesis method of (E) -2-methyl-alpha-methoxyiminophenylacetic acid methyl ester 内蒙古诚信永安化工有限公司 2025-06-10 CN disclosed
CN-119638597-A Synthesis method of (E) -2-methyl-alpha-methoxyiminophenylacetic acid methyl ester 内蒙古诚信永安化工有限公司 2025-03-18 CN disclosed
CN-110396054-B Green synthesis method of kresoxim-methyl 京博农化科技有限公司 2022-09-20 CN disclosed