SCHEMBL16181541

SCHEMBL16181541

O=C(Nc1ccccc1)C(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 5/20 0.50
HSP90AA1 P07900 2/20 0.50
GPR55 Q9Y2T6 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 2/20 0.49
ATM Q13315 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
CDK9 P50750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL14680248 0.82 POLB (0.55) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL1703604 0.79 POLB (0.61) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL11123690 0.79 MAPT (0.57) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL3641542 0.79 MAPT (0.56) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL17028022 0.77 HDAC2 (0.49) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL29077383 0.76 POLB (0.57) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL10435602 0.76 MAPT (0.61) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL9676988 0.76 POLB (0.57) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL7939406 0.76 MEN1 (0.61) POLBMAPTHSP90AA1GPR55MEN1
SCHEMBL9819108 0.75 POLB (0.47) POLBMAPTHSP90AA1GPR55MEN1

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
US-8865820-B2 Fluorine-containing curable composition and rubber article SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-21 US disclosed