SCHEMBL8101784

SCHEMBL8101784

COC(=O)c1ccc(SCCO)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
ALDH1A1 P00352 9/20 0.57
MAPT P10636 8/20 0.57
HPGD P15428 7/20 0.57
HSD17B10 Q99714 4/20 0.57
LMNA P02545 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALOX15 P16050 2/20 0.57
MAPK1 P28482 1/20 0.57
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 3/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ATM Q13315 1/20 0.54
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL2002781 0.87 KDM4E (0.58) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5300204 0.86 KDM4E (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8420669 0.83 KDM4E (0.57) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6511279 0.81 KDM4E (0.66) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31401447 0.81 ALDH1A1 (0.54) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL22226387 0.80 CA2 (0.52) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL7360846 0.80 KDM4E (0.64) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL27947356 0.78 KDM4E (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL8102330 0.78 HPGD (0.60) ALDH1A1MAPTHPGDLMNANPSR1
SCHEMBL17080270 0.77 ALDH1A1 (0.62) KDM4EALDH1A1MAPTHPGDHSD17B10

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed