SCHEMBL7312010

SCHEMBL7312010

CCCCn1c(=O)c(C(=O)OCC)c(O)c2ccsc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
LMNA P02545 2/20 0.65
ALDH1A1 P00352 5/20 0.60
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.44
FEN1 P39748 2/20 0.43

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
SCHEMBL2207617 0.93 ALDH1A1 (0.58) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL2209496 0.88 KDM4E (0.62) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL2204618 0.85 KDM4E (0.52) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL4155322 0.82 KDM4E (0.58) KDM4ELMNAALDH1A1HTTRECQL
SCHEMBL7309093 0.81 KDM4E (0.65) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7301955 0.80 HTR3A (0.52) KDM4ELMNA
SCHEMBL7301949 0.80 HTR3A (0.52) KDM4ELMNA
SCHEMBL2210791 0.79 HTR4 (0.53) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL1061973 0.79 KDM4E (1.00) KDM4ELMNAALDH1A1HTTSMN1; SMN2
SCHEMBL8810033 0.76 HTT (0.64) KDM4ELMNAALDH1A1HTTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503844-B1 Thienopyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1994-08-03 EP disclosed
US-5219864-A Prevention, treatment of osteoporosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 US disclosed
US-5155115-A THIENOPYRIDINE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-10-13 US disclosed
EP-0503844-A1 Thienopyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-09-16 EP disclosed