SCHEMBL9525995

SCHEMBL9525995

N#Cc1ccc(-c2ccc(Cl)c(Cl)c2Cl)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
ALDH1A1 P00352 7/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 2/20 0.42
MDM2 Q00987 1/20 0.40
HPGD P15428 4/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
MCL1 Q07820 1/20 0.35
DPYD Q12882 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
UPP1 Q16831 1/20 0.34
GALR3 O60755 1/20 0.34
AHR P35869 2/20 0.33
CES1 P23141 1/20 0.33
BIRC5 O15392 1/20 0.33

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
SCHEMBL3479396 0.79 KDM4E (0.53) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9529307 0.75 KDM4E (0.55) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL11008749 0.72 MCL1 (0.51) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9529006 0.70 MDM2 (0.47) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL8064436 0.70 PIM1 (0.56) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL2869595 0.69 TRPV4 (0.46)
SCHEMBL4474609 0.68 MDM2 (0.62) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9702588 0.68 ALPL (0.32) ALDH1A1AHRCES1
SCHEMBL9754547 0.68 MCL1 (0.55) KDM4EALDH1A1GAAL3MBTL1GLA
SCHEMBL9525290 0.68 KDM4E (0.64) KDM4EALDH1A1GAAL3MBTL1GLA

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