SCHEMBL27576830

SCHEMBL27576830

CCc1ccccc1-c1ccsc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.58
MAPK8 P45983 7/20 0.41
MAPK10 P53779 1/20 0.41
FGFR1 P11362 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
SLC9A1 P19634 1/20 0.40
PKM P14618 1/20 0.40
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 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
SCHEMBL12495840 0.80 BCAT2 (0.62) BCAT2MAPK8MAPK10SLC9A1PKM
SCHEMBL4717953 0.78 BCAT2 (0.64) BCAT2MAPK8MAPK10SLC9A1ALDH1A1
SCHEMBL2279587 0.77 BCAT2 (0.47) BCAT2MAPK8MAPK10PKMALDH1A1
SCHEMBL7472100 0.77 BCAT2 (0.62) BCAT2MAPK8MAPK10SLC9A1PKM
SCHEMBL28012573 0.76 BCAT2 (0.57) BCAT2MAPK8SLC9A1ALDH1A1KDM4E
SCHEMBL27574584 0.76 MAPK8 (0.47) BCAT2MAPK8MAPK10FGFR1FGFR2
SCHEMBL6961376 0.74 BCAT2 (0.58) BCAT2MAPK8MAPK10PKMALDH1A1
SCHEMBL6034332 0.74 BCAT2 (0.46) BCAT2MAPK8MAPK10KMT2ARORC
SCHEMBL4445671 0.74 BCAT2 (1.00) BCAT2MAPK8MAPK10ALDH1A1KMT2A
SCHEMBL528444 0.74 BCAT2 (0.55) BCAT2FGFR1FGFR2FGFR4FGFR3

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
CN-1447794-A Novel compounds ASTRAZENECA AB (SE) 2003-10-08 CN disclosed