SCHEMBL9701860

SCHEMBL9701860

CCOc1cc(OCCOC)cc(-c2ccc(C#N)c(=O)[nH]2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 2/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
IDH1 O75874 1/20 0.39
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MDM2 Q00987 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
AR P10275 1/20 0.35
MAPT P10636 2/20 0.35
ESR2 Q92731 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7371784 0.92 KDM4E (0.60) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9703127 0.87 ALDH1A1 (0.57) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9526090 0.81 KDM4E (0.74) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701832 0.80 KDM4E (0.77) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9700707 0.76 KDM4E (0.71) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701544 0.75 KDM4E (0.70) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701393 0.75 KDM4E (0.52) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9528029 0.75 KDM4E (0.52) KDM4EALDH1A1GLAGAAL3MBTL1
SCHEMBL9701708 0.74 PDE3B (0.33) KDM4EALDH1A1GAAPDE3BPDE3A
SCHEMBL9701620 0.74 KDM4E (0.57) KDM4EALDH1A1GLAGAAL3MBTL1

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