SCHEMBL14437296

SCHEMBL14437296

O=C1N=C(NCCc2cccc(F)c2)S/C1=C\c1ccc2nccc(OCC(F)(F)F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.45
MEN1 O00255 1/20 0.36
XDH P47989 1/20 0.36
KMT2A Q03164 1/20 0.36
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
ALOX5 P09917 1/20 0.34
CSNK2A2 P19784 3/20 0.33
CSNK2A1 P68400 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
PIK3CD O00329 1/20 0.32
GAK O14976 1/20 0.32
RPS6KA4 O75676 1/20 0.32
STK10 O94804 1/20 0.32
PIM1 P11309 1/20 0.32
MAP2K2 P36507 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL14437310 0.91 CISD1 (0.48) CISD1MEN1XDHKMT2ACCNC
SCHEMBL5505342 0.91 CISD1 (0.48) CISD1MEN1XDHKMT2ACCNC
SCHEMBL5505339 0.91 CISD1 (0.48) CISD1MEN1XDHKMT2ACCNC
SCHEMBL5502498 0.88 CISD1 (0.35) CISD1CCNCCDK8CSNK2A2CSNK2A1
SCHEMBL14437295 0.87 CISD1 (0.45) CISD1MEN1XDHKMT2AALOX5
SCHEMBL14437302 0.82 CISD1 (0.44) CISD1MEN1XDHKMT2ACCNC
SCHEMBL3864350 0.79 CISD1 (0.48) CISD1MEN1XDHKMT2AALOX5
SCHEMBL3868935 0.79 CISD1 (0.48) CISD1MEN1XDHKMT2AALOX5
SCHEMBL3864349 0.79 CISD1 (0.48) CISD1MEN1XDHKMT2AALOX5
SCHEMBL14452267 0.79 CISD1 (0.46) CISD1MEN1XDHKMT2AALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed