SCHEMBL28239177

SCHEMBL28239177

CSc1nccc(C(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH1 O75874 2/20 0.34
IDH2 P48735 2/20 0.34
PARP1 P09874 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CCNA2 P20248 2/20 0.33
CDK2 P24941 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33

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
SCHEMBL28139467 0.85 MAPK9 (0.41) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL10094582 0.82 MAPK9 (0.43) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL30388994 0.78 HTT (0.44) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL2563638 0.77 MAPK9 (0.41) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1914533 0.77 L3MBTL1 (0.54) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6792166 0.76 L3MBTL1 (0.52) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL4660326 0.73 MAPK9 (0.39) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL13991756 0.73 MAPK9 (0.39) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8509282 0.73 MAPK9 (0.39) GAALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL23206269 0.72 IDH1 (0.36) LMNAALDH1A1KMT2AIDH1IDH2

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-105263929-B 3-Pyrimidin-4-yl-oxazolidin-2-one compounds as mutant IDH inhibitors 诺华股份有限公司 2018-08-28 CN disclosed