SCHEMBL25308367

SCHEMBL25308367

COC(=O)C(Cl)c1cc(Cl)sc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3B P49841 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
KAT2B Q92831 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 2/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL14661394 0.70 MDM2 (0.44) ALDH1A1KMT2A
SCHEMBL23411290 0.69 DAO (0.47) DAOMAPTHPGDKDM4EL3MBTL1
SCHEMBL9680167 0.69 DAO (0.47) DAOMAPTHPGDKDM4EL3MBTL1
SCHEMBL11080855 0.69 DAO (0.39) DAOHPGDL3MBTL1SMN1; SMN2RAB9A
SCHEMBL3697021 0.68 CASP1 (0.45) ALDH1A1KMT2A
SCHEMBL5084418 0.68 PSEN1 (0.35) MAPTHPGDSMN1; SMN2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL4247559 0.68 ALDH1A1 (0.43) DAOMAPTHPGDKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL4247560 0.68 ALDH1A1 (0.43) DAOMAPTHPGDKDM4EL3MBTL1
SCHEMBL6314940 0.68 LMNA (0.47) MAPTKDM4EMAPK1HTTALDH1A1
SCHEMBL23362973 0.67 DAO (0.39) DAOMAPTHPGDKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO claimed
WO-2023131951-A1 NOVEL DERIVATIVES OF NON-CODED AMINO ACIDS AND THEIR USE AS HERBICIDES FORTEPHEST LTD. (IL) 2023-07-13 WO disclosed