SCHEMBL3276578

SCHEMBL3276578

CN1c2ccccc2SC1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ BCHE P06276 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ PTGS1 P23219 2/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31

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
SCHEMBL10776599 0.75 MAOA (0.43) MAOASMN1; SMN2BCHEALDH1A1KDM1A
SCHEMBL12264201 0.74 MAOA (0.46) MAOASMN1; SMN2BCHEALDH1A1KDM1A
SCHEMBL16728889 0.72 MAOA (0.45) MAOASMN1; SMN2BCHEALDH1A1GAA
SCHEMBL347425 0.72 MAOA (0.45) MAOASMN1; SMN2BCHEALDH1A1GAA
SCHEMBL29814962 0.72 MAOA (0.45) MAOASMN1; SMN2BCHEALDH1A1GAA
SCHEMBL20668532 0.72 MAOA (0.41) MAOASMN1; SMN2BCHEALDH1A1MAPT
SCHEMBL4580436 0.71 MAOA (0.43) MAOASMN1; SMN2BCHEALDH1A1KDM1A
SCHEMBL1156077 0.71 MAOA (0.43) MAOASMN1; SMN2BCHEALDH1A1KDM1A
SCHEMBL1412732 0.71 MAOA (0.43) MAOASMN1; SMN2ALDH1A1KDM1ARAB9A
SCHEMBL7138108 0.71 MAOA (0.43) MAOASMN1; SMN2BCHEALDH1A1MAPT

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
EP-1495035-B1 METHOD FOR THE PRODUCTION OF BIS(PERFLUOROALKYL)PHOSPHINIC ACIDS AND THE SALTS THEREOF MERCK PATENT GMBH (DE) 2010-06-30 — — EP claimed
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