SCHEMBL3135656

SCHEMBL3135656

Cc1ccc(Cc2nsc(N3CCN(S(=O)(=O)c4ccc(Cl)cc4)C(C)C3)n2)cc1.O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(Cc3ccc(Cl)cc3)ns2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 1/20 0.38
APAF1 O14727 1/20 0.38
CHIT1 Q13231 2/20 0.37
CHIA Q9BZP6 2/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL2010440 0.92 PSEN1 (0.42) PKMALDH1A1GAAHSD11B1KDM4E
SCHEMBL4685105 0.92 HSD11B1 (0.43) ALDH1A1GAATP53HSD11B1
SCHEMBL2007974 0.92 HSD11B1 (0.43) ALDH1A1GAATP53HSD11B1
SCHEMBL2008890 0.88 HSD11B1 (0.46) HSD11B1
SCHEMBL2007089 0.87 ALDH1A1 (0.42) PKMALDH1A1L3MBTL1LMNAGAA
SCHEMBL2010721 0.86 PKM (0.51) GBA1PKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2006592 0.86 MEN1 (0.47) PKMALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2006326 0.86 ALDH1A1 (0.50) GBA1PKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL2007289 0.86 MEN1 (0.47) PKMALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL3054414 0.85 ALDH1A1 (0.40) PKMALDH1A1LMNAGAAHSD11B1

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-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed