SCHEMBL9848064

SCHEMBL9848064

CSC(=CC(=O)c1ccncc1)SC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
MAPT P10636 4/20 0.61
HTT P42858 2/20 0.50
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
NAPRT Q6XQN6 1/20 0.45
CYP1A1 P04798 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2D6 P10635 4/20 0.42

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
SCHEMBL5931364 0.79 MEN1 (1.00) KMT2AMEN1MAPTHTTGAA
SCHEMBL1162892 0.78 MEN1 (0.62) KMT2AMEN1MAPTHTTGAA
SCHEMBL6139623 0.78 MAPT (0.69) KMT2AMEN1MAPTHTTGAA
SCHEMBL2594017 0.78 NAPRT (0.52) KMT2AMEN1MAPTHTTGAA
SCHEMBL28474124 0.78 MEN1 (0.74) KMT2AMEN1MAPTHPGDALOX15
SCHEMBL2594020 0.78 NAPRT (0.52) KMT2AMEN1MAPTHTTGAA
SCHEMBL2594019 0.78 NAPRT (0.52) KMT2AMEN1MAPTHTTGAA
SCHEMBL9564366 0.77 GAA (0.50) KMT2AMEN1MAPTHTTGAA
SCHEMBL9564371 0.77 GAA (0.50) KMT2AMEN1MAPTHTTGAA
SCHEMBL6218138 0.76 MAPT (0.67) KMT2AMEN1MAPTHTTGAA

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-0451585-A2 2-aryl-6-hetarylpyridine derivatives BAYER AG (DE) 1991-10-16 EP disclosed