SCHEMBL8553151

SCHEMBL8553151

CON(C=O)c1c(C#N)c(C)nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 4/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
APAF1 O14727 1/20 0.38
USP7 Q93009 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8552117 0.74 KDM4E (0.46) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL8550649 0.71 NTRK1 (0.46) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL8553324 0.71 KDM4E (0.43) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL2546236 0.70 GAA (0.68) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL27830393 0.69 GAA (0.50) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL8553146 0.68 NTRK1 (0.54) KDM4EHPGDLMNAALDH1A1MAPT
SCHEMBL14369639 0.68 CA1 (0.57) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL8554132 0.67 GAA (0.48) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL19002543 0.67 GAA (0.58) KDM4EGAAHPGDLMNAALDH1A1
SCHEMBL21357576 0.66 GAA (0.50) KDM4EGAAHPGDLMNAALDH1A1

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-0885890-A1 SULFONYLUREIDOPYRAZOLE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-12-23 EP disclosed