SCHEMBL3795290

SCHEMBL3795290

Fc1cccc(F)c1-c1nc(C(F)(F)F)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.35
HPGD P15428 1/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
MAT2A P31153 1/20 0.34
CSNK1D P48730 2/20 0.33
CSNK1E P49674 2/20 0.33
MAPK14 Q16539 2/20 0.33
AHR P35869 1/20 0.33
PTPN1 P18031 1/20 0.32
NT5E P21589 2/20 0.31
PTGES O14684 2/20 0.31
JAK2 O60674 1/20 0.31
ADORA2B P29275 1/20 0.31
PDK2 Q15119 1/20 0.30
DHODH Q02127 1/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TTR P02766 1/20 0.30

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
SCHEMBL3799835 0.89 PTGES (0.45) NT5EPTGESJAK2
SCHEMBL3803127 0.81 JAK2 (0.36) HPGDAHRNT5EPTGESJAK2
SCHEMBL14692185 0.79 NT5E (0.31) NT5EPTGES
SCHEMBL31254853 0.76 EGLN2 (0.33)
SCHEMBL11623789 0.75 HPGD (0.43) HPGDNT5EPOLB
SCHEMBL31254733 0.74 TTR (0.36) HPGDTTR
SCHEMBL649565 0.74 HPGD (0.56) HPGDMAPK14POLBNPSR1
SCHEMBL26093883 0.73 KDM4E (0.44) HPGDCSNK1DMAPK14NT5EPOLB
SCHEMBL29079309 0.72 GABRA1 (0.45) HPGDAHRNPSR1
SCHEMBL27642887 0.71 SCN2A (0.51) HPGDMAPK14NPSR1

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-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed