SCHEMBL27935313

SCHEMBL27935313

FC(F)(F)N(C(=S)Nc1ccccc1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.50
▸ MAPT P10636 2/20 0.50
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ABCC1 P33527 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ EPHX2 P34913 2/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL28728490 0.82 ATM (0.62) MAPTATMSMN1; SMN2GAAPOLB
SCHEMBL5463743 0.77 MAPT (0.77) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL10769241 0.73 LMNA (0.70) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL5524600 0.70 LMNA (0.62) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL9260915 0.70 SMN1; SMN2 (0.48) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL11055736 0.69 ALDH1A1 (0.56) LMNAMAPTGAAKMT2APOLB
SCHEMBL5532869 0.69 POLB (0.73) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL11617546 0.68 AGER (0.57) LMNAMAPTSMN1; SMN2GAAMEN1
SCHEMBL28812462 0.68 ALDH1A1 (0.48) LMNAMAPTATMSMN1; SMN2GAA
SCHEMBL10595718 0.67 ATM (0.71) MAPTATMSMN1; SMN2MAPK1POLB

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-103501769-A Star polymer nanoshells and methods of preparation thereof IBM 2014-01-08 — — CN disclosed
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