SCHEMBL29387994

SCHEMBL29387994

CC(Cl)C(C)n1ncc(OCc2ccc(I)nc2)c(Cl)c1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.37
▸ BPTF Q12830 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.30
▸ NPBWR1 P48145 1/20 0.30
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL28553183 1.00 MAPK14 (0.37) MAPK14BPTFALDH1A1MEN1MAPT
SCHEMBL28553182 0.78 MAPK14 (0.36) MAPK14BPTFALDH1A1MEN1MAPT
SCHEMBL9379130 0.78 MAPK14 (0.39) MAPK14ALDH1A1MEN1MAPTKMT2A
SCHEMBL92683 0.78 MAPK14 (0.37) MAPK14BPTFALDH1A1MEN1MAPT
SCHEMBL10854770 0.76 BPTF (0.46) MAPK14BPTFALDH1A1RAB9ANPC1
SCHEMBL15565769 0.75 BPTF (0.46) MAPK14BPTFGAARAB9ANPC1
SCHEMBL15565563 0.75 BPTF (0.46) MAPK14BPTFALDH1A1GAARAB9A
SCHEMBL5621937 0.74 MAPK14 (0.36) MAPK14BPTFALDH1A1MEN1MAPT
SCHEMBL9239759 0.74 RAB9A (0.44) MAPK14BPTFALDH1A1MEN1KMT2A
SCHEMBL16901937 0.73 BPTF (0.43) MAPK14BPTFALDH1A1GAARAB9A

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-114072384-A Microbicidal picolinamide derivatives 先正达农作物保护股份公司 2022-02-18 — — CN disclosed
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