SCHEMBL9529006

SCHEMBL9529006

N#Cc1ccc(-c2ccccc2Br)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.47
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
GAA P10253 4/20 0.46
GLA P06280 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HPGD P15428 3/20 0.41
GALR3 O60755 1/20 0.41
MCL1 Q07820 1/20 0.40
ATM Q13315 1/20 0.39
USP8 P40818 2/20 0.38
USP7 Q93009 2/20 0.38
PTGES O14684 1/20 0.38
HSD17B10 Q99714 1/20 0.37
PIM1 P11309 3/20 0.37
BIRC5 O15392 2/20 0.37
DPYD Q12882 1/20 0.36
MEN1 O00255 1/20 0.35

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 0.81 KDM4E (0.53) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL8064436 0.81 PIM1 (0.56) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9754547 0.78 MCL1 (0.55) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL7649493 0.77 KDM4E (0.56) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL4474609 0.76 MDM2 (0.62) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9536884 0.74 KDM4E (0.46) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL7646365 0.74 PDE5A (0.50) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL7365683 0.73 KDM4E (0.51) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL9701575 0.73 MDM2 (0.59) MDM2KDM4EALDH1A1GAAGLA
SCHEMBL11732347 0.73 KMT2A (0.47) MDM2KDM4EALDH1A1GAAGLA

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