SCHEMBL14626488

SCHEMBL14626488

Cc1c(Cc2ccc(O)c(F)c2)c(OC(C)C)nn1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 5/20 0.45
SLC5A2 P31639 5/20 0.45
DHODH Q02127 2/20 0.39
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
HCK P08631 1/20 0.34
SRC P12931 1/20 0.34
KDR P35968 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
EPHB4 P54760 1/20 0.34
PRKDC P78527 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
KCNH2 Q12809 3/20 0.33
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
CYP17A1 P05093 1/20 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
SCHEMBL14285952 0.87 SLC5A1 (0.43) SLC5A1SLC5A2DHODH
SCHEMBL14285953 0.83 SLC5A2 (0.41) SLC5A1SLC5A2DHODHP2RX7
SCHEMBL14626459 0.79 DHODH (0.45) SLC5A1SLC5A2DHODHPIK3CDABL1
SCHEMBL14285951 0.76 DHODH (0.47) SLC5A1SLC5A2DHODHTMEM97KDM4E
SCHEMBL10064334 0.75 PDE1A (0.38) SLC5A1SLC5A2DHODHKDM4EP2RX7
SCHEMBL14285955 0.75 DHODH (0.46) SLC5A1SLC5A2DHODHABL1HCK
SCHEMBL14285947 0.75 DHODH (0.39) SLC5A1SLC5A2DHODHKDM4E
SCHEMBL10031316 0.74 SLC5A1 (0.37) SLC5A1SLC5A2KCNH2TMEM97SIGMAR1
SCHEMBL4593582 0.74 DHODH (0.45) SLC5A1SLC5A2DHODHKDM4EP2RX7
SCHEMBL10064335 0.73 CHRM4 (0.38) SLC5A1SLC5A2PIK3CDABL1EGFR

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
WO-2007010015-A1 PROCESSES FOR PREPARING PYRAZOLE-O-GLYCOSIDE DERIVATIVES AND NOVEL INTERMEDIATES OF SAID PROCESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-25 WO disclosed