SCHEMBL4734238

SCHEMBL4734238

O=C(Nc1ccccc1-c1cccc(SC(F)(F)F)c1)c1cccnc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.61
▸ HPGD P15428 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ RXFP1 Q9HBX9 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TRPV1 Q8NER1 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KCNK2 O95069 1/20 0.42
▸ KCNK10 P57789 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL4730925 0.89 TDP1 (0.71) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4734600 0.86 TDP1 (0.65) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL8074225 0.81 TDP1 (0.85) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4917107 0.78 TDP1 (0.76) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4928907 0.78 TDP1 (0.76) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL6018912 0.78 TDP1 (0.75) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4925771 0.78 TDP1 (0.79) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4921129 0.78 TDP1 (0.74) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4930719 0.78 TDP1 (0.71) TDP1HPGDALDH1A1RXFP1KDM4E
SCHEMBL4922044 0.77 TDP1 (0.70) TDP1HPGDALDH1A1RXFP1KDM4E

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-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 — — WO claimed
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 — — WO disclosed
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