SCHEMBL6604563

SCHEMBL6604563

O=C(O)c1cc(N2CCCCC2)c2cccc(O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
KMT2A Q03164 2/20 0.46
NCF1 P14598 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
KDM4A O75164 1/20 0.40
RAB9A P51151 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
HIF1AN Q9NWT6 1/20 0.40
GNE Q9Y223 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TLR9 Q9NR96 1/20 0.40
PIK3CA P42336 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 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
Hydrochloric Acid SCHEMBL6079350 0.99 KDM4E (0.44) KDM4EKMT2ANCF1L3MBTL1CSNK2A2
SCHEMBL6599066 0.87 PIK3CA (0.52) NCF1KDM4APIK3CAGAA
SCHEMBL6605079 0.87 KDM4E (0.47) KDM4EKMT2ANCF1ALDH1A1HPGD
SCHEMBL6591671 0.87 KDM4A (0.48) KDM4EKMT2ANCF1L3MBTL1KDM4A
Hydrochloric Acid SCHEMBL6080507 0.86 KDM4E (0.46) KDM4EKMT2ANCF1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL6079508 0.86 KDM4A (0.47) KDM4EKMT2ANCF1L3MBTL1KDM4A
SCHEMBL6600666 0.86 NCF1 (0.49) KDM4EKMT2ANCF1L3MBTL1CSNK2A2
SCHEMBL6079496 0.85 KDM4E (0.43) KDM4EKMT2ANCF1L3MBTL1RAB9A
Hydrochloric Acid SCHEMBL6080392 0.85 NCF1 (0.48) KDM4EKMT2ANCF1L3MBTL1CSNK2A2
Hydrochloric Acid SCHEMBL6080061 0.83 CSNK2A2 (0.44) KDM4EKMT2ANCF1L3MBTL1CSNK2A2

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-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed