SCHEMBL8710214

SCHEMBL8710214

COc1ccc(-c2nnn[nH]2)cc1Sc1nc(CC(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 7/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.40
GRK6 P43250 5/20 0.38
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MPO P05164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL8713676 0.88 GAA (0.45) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8712627 0.78 GAA (0.35) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL8709911 0.77 ALOX5 (0.44) KDM4EALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL12892200 0.72 MPO (0.57) ALDH1A1GAAGRK6MAPTSMN1; SMN2
SCHEMBL8710518 0.72 MAPT (0.45) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8043845 0.72 HSD17B10 (0.45) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL7462417 0.69 CFD (0.44) KDM4EALDH1A1HPGDHSD17B10GRK6
SCHEMBL8714020 0.69 MAPT (0.51) ALDH1A1GAAMAPTLMNASMN1; SMN2
SCHEMBL187940 0.67 ALDH1A1 (0.54) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL10029581 0.67 KDM4E (0.81) KDM4EALDH1A1HPGDGAAHSD17B10

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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed