SCHEMBL2472274

SCHEMBL2472274

O=[C]c1c(O)c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2sc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 3/20 0.42
PIM1 P11309 2/20 0.42
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
AURKA O14965 1/20 0.39
TPX2 Q9ULW0 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
LIPG Q9Y5X9 1/20 0.37
ESR1 P03372 1/20 0.36
SCN5A Q14524 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
CHEK1 O14757 1/20 0.34
SERPINE1 P05121 1/20 0.34
JAK2 O60674 1/20 0.34
PRKD3 O94806 1/20 0.34
MARK3 P27448 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL2472066 0.81 RXRA (0.38) PIM1ESR1KIF11
SCHEMBL21043609 0.80 CHEK1 (0.43) PIM2PIM1AKR1C2AKR1C1AURKA
SCHEMBL28019090 0.75 AKR1C2 (0.39) PIM2PIM1AKR1C2AKR1C1AURKA
SCHEMBL2468746 0.74 EGLN1 (0.48) LIPG
SCHEMBL2233877 0.67 ALDH1A1 (0.44)
SCHEMBL2470341 0.66 L3MBTL1 (0.58) HDAC6
SCHEMBL2471654 0.63 L3MBTL1 (0.43)
SCHEMBL28295825 0.63 CA12 (0.42) AKR1C2AKR1C1AURKATPX2SCN5A
SCHEMBL2539366 0.63 ERN1 (0.56) AKR1C2AKR1C1AURKATPX2
SCHEMBL6456204 0.63 MMP12 (0.44) AKR1C2AKR1C1AURKATPX2SCN5A

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
EP-2370422-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2011-10-05 EP disclosed
WO-2010056767-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2010-05-20 WO disclosed