SCHEMBL31152597

SCHEMBL31152597

ON=Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)c(Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ PKM P14618 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ PLAU P00749 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ XBP1 P17861 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL24485240 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL29055160 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL31152603 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL6176233 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL30525118 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL6176241 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL7766986 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL29627103 0.75 ALDH1A1 (0.48) ALDH1A1KDM4EPKMSMN1; SMN2PLAU
SCHEMBL8789256 0.75 PLAU (0.43) ALDH1A1KDM4ESMN1; SMN2PLAUPOLB
SCHEMBL28862774 0.74 KDM1A (0.38) ALDH1A1KDM4ESMN1; SMN2PLAUPOLB

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-118930529-A Novel isoxazolidinone-containing compound and preparation method and application thereof 山东省联合农药工业有限公司 2024-11-12 — — CN disclosed
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