SCHEMBL6533189

SCHEMBL6533189

O=c1cc(O)c2ccccc2n1Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.83
KDM4E B2RXH2 5/20 0.83
MEN1 O00255 5/20 0.83
KMT2A Q03164 5/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
MAPT P10636 1/20 0.83
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
P2RX4 Q99571 2/20 0.50
CYP19A1 P11511 1/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPK1 P28482 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SRC P12931 2/20 0.46
PGR P06401 1/20 0.46
RECQL P46063 1/20 0.44
CASP6 P55212 1/20 0.44

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
SCHEMBL1523842 0.91 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9257004 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8154947 0.78 CYP19A1 (0.77) P2RX4CYP19A1HDAC1HDAC6
SCHEMBL9270554 0.77 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9272108 0.77 ALDH1A1 (0.74) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8358470 0.76 KMT2A (0.72) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11826856 0.76 ALDH1A1 (0.68) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9535544 0.75 KDM4E (1.00) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14692035 0.75 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11828707 0.74 ALDH1A1 (0.70) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2005520797-A 2005-07-14 JP claimed
EP-1458718-A1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS Merck Frosst Canada & Co. (CA) 2004-09-22 EP claimed
WO-2003051878-A1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA & CO. (CA) 2003-06-26 WO claimed