SCHEMBL7802245

SCHEMBL7802245

Nc1ccc(Oc2cccc(CC=O)c2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
BRCA1 P38398 1/20 0.59
HBB P68871 1/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
RAB9A P51151 1/20 0.43
KEAP1 Q14145 1/20 0.43
MAPK1 P28482 1/20 0.39
OPRM1 P35372 6/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 5/20 0.38
MITF O75030 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7810467 0.82 KDM4E (0.59) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL15534280 0.81 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL2556720 0.80 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL29955553 0.80 KDM4E (0.62) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL7802307 0.79 HSPB1 (0.53) KDM4EALDH1A1MEN1KMT2APOLB
SCHEMBL20931739 0.79 KDM4E (0.73) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL13639123 0.78 KDM4E (0.64) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL5310795 0.78 TLR4 (0.51) ALDH1A1MEN1KMT2APOLBL3MBTL1
SCHEMBL7808835 0.77 KDM4E (0.60) KDM4EALDH1A1MEN1KMT2ABRCA1
SCHEMBL22001783 0.75 KDM4E (0.63) KDM4EALDH1A1MEN1KMT2ABRCA1

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-1066261-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-01-10 EP disclosed
WO-1999048871-A1 PYRIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-09-30 WO disclosed