SCHEMBL13173648

SCHEMBL13173648

O=C(O)c1cc2cc(OCC(F)(F)F)ccc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
HPGD P15428 3/20 0.64
HSD17B10 Q99714 3/20 0.64
ALDH1A1 P00352 2/20 0.64
SRD5A2 P31213 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.54
PDPK1 O15530 1/20 0.54
LMNA P02545 1/20 0.54
NFKB1 P19838 1/20 0.54
APEX1 P27695 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.52
SMAD3 P84022 1/20 0.51
PLA2G4A P47712 1/20 0.51
PDGFRB P09619 4/20 0.50
PDGFRA P16234 4/20 0.50

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
SCHEMBL4371734 0.81 PDGFRB (0.71) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL2931171 0.81 KDM4E (0.71) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL3033147 0.80 KDM4E (0.67) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL31287830 0.80 KMT2A (0.72) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL1144832 0.79 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL15923772 0.79 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL2767179 0.79 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL9816433 0.79 KDM4E (0.73) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL4369016 0.79 PLA2G4A (0.67) KDM4EHPGDHSD17B10ALDH1A1SRD5A2
SCHEMBL3641554 0.79 KDM4E (0.65) KDM4EHPGDHSD17B10ALDH1A1SRD5A2

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-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed