SCHEMBL6609308

SCHEMBL6609308

COC(=O)Nc1ccc(-c2[c]cccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.43
PTPN1 P18031 1/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.39
ACHE P22303 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL6607118 0.85 CYP17A1 (0.49) PTPN1
SCHEMBL6606671 0.84 SMN1; SMN2 (0.58) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL2092941 0.78 SMN1; SMN2 (0.68) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL6642630 0.78 TSHR (0.53) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL7251623 0.77 SMN1; SMN2 (0.72) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL14556191 0.76 MEN1 (0.56) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL9609808 0.75 SMN1; SMN2 (0.82) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL6609313 0.75 SMN1; SMN2 (0.58) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL282531 0.73 SMN1; SMN2 (0.71) SMN1; SMN2HPGDRAB9ANPC1MAPT
SCHEMBL1415961 0.73 SMN1; SMN2 (0.43) SMN1; SMN2HPGDRAB9ANPC1MAPT

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
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed