SCHEMBL9525979

SCHEMBL9525979

N#Cc1ccc(-c2cccc(C(F)(F)F)c2)[nH]c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 5/20 0.60
GLA P06280 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SCN2A Q99250 2/20 0.46
MDM2 Q00987 1/20 0.45
KDM5A P29375 1/20 0.45
AR P10275 2/20 0.45
CTSS P25774 1/20 0.45
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MAPT P10636 1/20 0.42
XDH P47989 1/20 0.42
MEN1 O00255 1/20 0.41
TNF P01375 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL9700724 0.80 KDM4E (0.66) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9525290 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL7397061 0.78 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9849406 0.78 MAP4K4 (0.46) KDM4EALDH1A1GAASCN2AKDM5A
SCHEMBL11624684 0.77 SCN2A (0.59) KDM4EALDH1A1GAASCN2AKDM5A
SCHEMBL4474609 0.77 MDM2 (0.62) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11735164 0.75 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL9526447 0.75 GAA (1.00) KDM4EALDH1A1GAAGLAL3MBTL1
SCHEMBL11163920 0.75 KDM4E (0.64) KDM4EALDH1A1GAAHPGDKDM5A
SCHEMBL9700710 0.75 KDM4E (0.64) KDM4EALDH1A1GAAGLAL3MBTL1

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-0550576-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed