SCHEMBL27702829

SCHEMBL27702829

O=C(O)CNC(=O)c1cc2scc(-c3ccc(F)cc3)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.48
GCGR P47871 5/20 0.40
HDAC6 Q9UBN7 3/20 0.39
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
TDO2 P48775 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
SCHEMBL26116625 0.80 EGLN1 (0.55) EGLN1GCGRHDAC6
SCHEMBL27702865 0.78 EGLN1 (0.45) EGLN1HDAC6NPC1LMNATP53
SCHEMBL967008 0.77 EGLN1 (0.56) EGLN1
SCHEMBL967496 0.75 EGLN1 (0.56) EGLN1
SCHEMBL71292 0.71 HDAC6 (0.71) HDAC6NPC1LMNATP53HTT
SCHEMBL1219368 0.70 CHRNA7 (0.48) EGLN1
SCHEMBL27957411 0.68 EGLN1 (0.66) EGLN1GCGRHIF1A
SCHEMBL30571780 0.67 KMT2A (0.47) LMNATP53RAB9ASMN1; SMN2
SCHEMBL26572849 0.67 KMT2A (0.47) LMNATP53RAB9ASMN1; SMN2
SCHEMBL71738 0.66 EGLN1 (0.51) EGLN1HDAC6NPC1LMNATP53

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
CN-101166745-A Thienopyridine compounds and methods of use thereof FIBROGEN INC (US) 2008-04-23 CN claimed
CN-101166745-A Thienopyridine compounds and methods of use thereof FIBROGEN INC (US) 2008-04-23 CN disclosed