SCHEMBL13458641

SCHEMBL13458641

Nc1ccc(-c2oc3cc(O)cc(N=O)c3c(=O)c2O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
CYP1A2 P05177 8/20 0.58
ABCB1 P08183 7/20 0.58
CYP1A1 P04798 7/20 0.58
CYP1B1 Q16678 7/20 0.58
CYP3A4 P08684 7/20 0.58
CYP2C9 P11712 7/20 0.58
FTO Q9C0B1 6/20 0.58
XDH P47989 6/20 0.58
MAPT P10636 6/20 0.58
KDM4E B2RXH2 6/20 0.58
HSD17B10 Q99714 6/20 0.58
CYP2D6 P10635 5/20 0.58
CYP2C19 P33261 5/20 0.58
ALOX15 P16050 5/20 0.58
TP53 P04637 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 5/20 0.58
CA12 O43570 4/20 0.58

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
SCHEMBL13964377 0.85 MEN1 (0.74) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL25761542 0.81 MEN1 (0.59) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL19587031 0.77 ABCB1 (0.79) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL21347799 0.77 MEN1 (0.74) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL25761565 0.76 CYP1A2 (0.60) MEN1KMT2ACYP1A2ABCB1CYP1A1
SCHEMBL19303497 0.75 CYP3A4 (0.73) MEN1KMT2AABCB1CYP3A4XDH
Kaempferol SCHEMBL1259228 0.74 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1
Kaempferol SCHEMBL18817 0.74 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1
Kaempferol SCHEMBL30655455 0.74 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1
Kaempferol SCHEMBL29378805 0.74 MEN1 (1.00) MEN1KMT2ACYP1A2ABCB1CYP1A1

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
EP-2159282-A1 ROSE CONTAINING FLAVONE AND DELPHINIDIN, AND METHOD FOR PRODUCTION THEREOF International Flower Developments Proprietary Limited (AU) 2010-03-03 EP disclosed