SCHEMBL10125733

SCHEMBL10125733

CC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.70
KDM4E B2RXH2 2/20 0.70
GAA P10253 3/20 0.69
ALDH1A1 P00352 9/20 0.66
KMT2A Q03164 4/20 0.65
LMNA P02545 3/20 0.63
MEN1 O00255 3/20 0.63
HTT P42858 2/20 0.63
TP53 P04637 1/20 0.63
ALOX15 P16050 1/20 0.63
RECQL P46063 1/20 0.63
USP2 O75604 3/20 0.63
TSHR P16473 1/20 0.63
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL5527258 0.88 MAPT (0.74) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL4070839 0.86 ALDH1A1 (0.84) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL3300404 0.84 ALDH1A1 (0.84) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL5432715 0.82 MAPT (1.00) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL17131816 0.81 TSHR (0.77) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL165282 0.80 KMT2A (0.69) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL9095171 0.80 GAA (0.59) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL8649261 0.79 KMT2A (0.71) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL4655484 0.79 USP2 (0.71) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL12491151 0.78 ALDH1A1 (0.67) MAPTKDM4EGAAALDH1A1KMT2A

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
US-8110574-B2 Derivatives of 4-aminopiperidine and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-02-07 US disclosed