SCHEMBL24046932

SCHEMBL24046932

O=c1c(O)c(-c2ccc(-c3nnn[nH]3)cc2)oc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.64
▸ KMT2A Q03164 12/20 0.64
▸ CYP3A4 P08684 11/20 0.64
▸ HSD17B10 Q99714 9/20 0.64
▸ MAPK1 P28482 6/20 0.64
▸ ALDH1A1 P00352 6/20 0.64
▸ HPGD P15428 6/20 0.64
▸ ALOX15 P16050 4/20 0.64
▸ USP2 O75604 2/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ FTO Q9C0B1 1/20 0.64
▸ KDM4E B2RXH2 13/20 0.63
▸ TP53 P04637 8/20 0.63
▸ LMNA P02545 3/20 0.63
▸ CA12 O43570 1/20 0.63
▸ CA1 P00915 1/20 0.63
▸ CA2 P00918 1/20 0.63
▸ ABCB1 P08183 1/20 0.63
▸ CALM1 P0DP23 1/20 0.63
▸ AR P10275 1/20 0.63

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
SCHEMBL2746872 0.83 MEN1 (0.90) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL12892177 0.80 ACP1 (0.53) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL10453856 0.79 HCRTR1 (0.51) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL10453899 0.79 CASP3 (0.51) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL345696 0.79 MEN1 (1.00) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL76636 0.79 KDM4E (0.93) MEN1KMT2ACYP3A4HSD17B10MAPK1
Flavonol SCHEMBL1679068 0.79 KDM4E (1.00) MEN1KMT2ACYP3A4HSD17B10MAPK1
Flavonol SCHEMBL20246 0.79 KDM4E (1.00) MEN1KMT2ACYP3A4HSD17B10MAPK1
Flavonol SCHEMBL29433939 0.79 KDM4E (1.00) MEN1KMT2ACYP3A4HSD17B10MAPK1
SCHEMBL8711671 0.77 DDR2 (0.56) MEN1KMT2ACYP3A4HSD17B10MAPK1

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-2021236578-A1 CHROMEN-4-ONE DERIVATIVES, SUCH AS E.G. FLAVONES, FOR USE AS CK2 INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATION SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-11-25 — — WO disclosed
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