SCHEMBL17153802

SCHEMBL17153802

CCOc1ccc2nc(SSc3nc4ccc(C)cc4s3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.61
MAPT P10636 8/20 0.59
LMNA P02545 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 5/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PPARA Q07869 3/20 0.58
HTT P42858 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53

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
SCHEMBL6689290 0.93 PDK1 (0.69) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL9467080 0.91 PDK1 (0.57) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL10475190 0.85 ALDH1A1 (0.67) MAPTLMNAL3MBTL1MAPK1KMT2A
SCHEMBL6902202 0.84 MAPT (0.66) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL9468354 0.84 MAPT (0.61) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL30590786 0.84 PDK1 (0.62) PDK1MAPTLMNAALDH1A1HSD17B10
SCHEMBL1771471 0.84 PDK1 (0.62) PDK1MAPTLMNAALDH1A1HSD17B10
SCHEMBL6665955 0.83 MAPT (0.64) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL9468058 0.82 KMT2A (0.64) PDK1MAPTLMNAL3MBTL1MAPK1
SCHEMBL6691987 0.82 PDK1 (0.66) PDK1MAPTLMNAL3MBTL1MAPK1

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
US-20150287953-A1 TRANSPARENT ELECTRODE, ELECTRONIC DEVICE, AND ORGANIC ELECTROLUMINESCENT ELEMENT Konica Minolta, Inc. (JP) 2015-10-08 US disclosed