SCHEMBL28553182

SCHEMBL28553182

CCC(Cl)Cn1ncc(OCc2ccc(I)nc2)c(Cl)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.36
▸ ALDH1A1 P00352 5/20 0.34
▸ HTT P42858 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ BPTF Q12830 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ NR2E3 Q9Y5X4 1/20 0.31
▸ NPBWR1 P48145 2/20 0.31
▸ MCHR1 Q99705 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ MEN1 O00255 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
SCHEMBL5621937 0.81 MAPK14 (0.36) MAPK14ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL92683 0.81 MAPK14 (0.37) MAPK14ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL29387994 0.78 MAPK14 (0.37) MAPK14ALDH1A1MAPTPOLBBPTF
SCHEMBL28553183 0.78 MAPK14 (0.37) MAPK14ALDH1A1MAPTPOLBBPTF
SCHEMBL2324267 0.74 NPBWR1 (0.38) MAPK14ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL2324074 0.74 MAPK14 (0.39) MAPK14ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL9379130 0.74 MAPK14 (0.39) MAPK14ALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL10616008 0.73 BRD4 (0.43) MAPK14ALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL27704723 0.72 MAPK14 (0.33) MAPK14
SCHEMBL10858045 0.71 BRD4 (0.44) MAPK14ALDH1A1HTTSMN1; SMN2MAPT

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 3 patents. 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
CN-113939510-A Microbicidal derivatives 先正达农作物保护股份公司 2022-01-14 — — CN disclosed
CN-108077275-B Fungicidal penflufen mixtures 朗盛德国有限责任公司 2021-04-30 — — CN disclosed
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