SCHEMBL8811244

SCHEMBL8811244

CCCCn1c(=O)c(OC(=O)Nc2ccncc2)c(O)c2sccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
FEN1 P39748 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNH2 Q12809 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PKM P14618 2/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERCC5 P28715 1/20 0.38

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
SCHEMBL8809153 0.83 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL8809110 0.72 MEN1 (0.55) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL7309093 0.70 KDM4E (0.65) HTTLMNAALDH1A1FEN1SMN1; SMN2
SCHEMBL8810033 0.69 HTT (0.64) HTTLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9410763 0.67 KCNH2 (0.43) HTTLMNAALDH1A1FEN1SMN1; SMN2
SCHEMBL9410646 0.64 PGR (0.43) LMNAALDH1A1FEN1SMN1; SMN2KDM4E
SCHEMBL7998576 0.64 MEN1 (0.42) LMNAALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL7997245 0.63 NPC1 (0.52) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL7302698 0.63 HTR3A (0.52) LMNAKDM4EKCNH2
SCHEMBL7303669 0.63 HTR3A (0.70) SMN1; SMN2KDM4EHPGDKCNH2MEN1

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-0505058-B1 Thienopyridine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1997-05-21 EP claimed