SCHEMBL27748352

SCHEMBL27748352

O=S(=O)(c1cccs1)N1CCN(Cc2cccs2)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.71
RAB9A P51151 3/20 0.66
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NPC1 O15118 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 5/20 0.57
GAA P10253 3/20 0.57
HPGD P15428 2/20 0.57
RECQL P46063 1/20 0.57
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.54
MAPT P10636 2/20 0.53
JAK2 O60674 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
DRD4 P21917 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL7531705 0.82 PKM (0.75) PKMRAB9ASMN1; SMN2LMNATSHR
SCHEMBL14968229 0.82 PKM (0.75) PKMRAB9ASMN1; SMN2LMNATSHR
SCHEMBL28777020 0.79 HTT (0.58) SMN1; SMN2ALDH1A1GAAKDM4EHTT
SCHEMBL9597306 0.79 PKM (0.71) PKMRAB9ASMN1; SMN2LMNATSHR
SCHEMBL12726891 0.78 PKM (0.69) PKMRAB9ASMN1; SMN2LMNATSHR
SCHEMBL13974920 0.78 RAB9A (0.64) PKMRAB9ASMN1; SMN2LMNANPC1
SCHEMBL5415687 0.77 PKM (0.85) PKMRAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL9597683 0.77 RAB9A (0.73) PKMRAB9ASMN1; SMN2LMNATSHR
SCHEMBL12656171 0.76 PKM (0.77) PKMRAB9ASMN1; SMN2TSHRNPSR1
SCHEMBL5830802 0.76 PKM (0.77) PKMRAB9ATSHRNPC1USP2

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-101479274-A Pharmaceutical compounds HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed