SCHEMBL9700724

SCHEMBL9700724

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
GAA P10253 3/20 0.66
ALDH1A1 P00352 2/20 0.66
GLA P06280 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
AR P10275 1/20 0.52
PIM1 P11309 5/20 0.51
MDM2 Q00987 1/20 0.49
GALR3 O60755 1/20 0.43
HPGD P15428 1/20 0.43
LRRK2 Q5S007 1/20 0.42
BIRC5 O15392 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
UPP1 Q16831 1/20 0.41
ATM Q13315 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL7397061 0.83 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525290 0.83 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL4474609 0.82 MDM2 (0.62) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9700710 0.80 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9525979 0.80 KDM4E (0.60) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11735164 0.80 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9526447 0.80 GAA (1.00) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701346 0.80 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL11741908 0.80 KDM4E (0.64) KDM4EGAAALDH1A1GLAL3MBTL1
SCHEMBL9701575 0.79 MDM2 (0.59) KDM4EGAAALDH1A1GLAL3MBTL1

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