SCHEMBL24046879

SCHEMBL24046879

O=c1cc(-c2ccc(O)c(I)n2)oc2c(Br)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.44
▸ MCL1 Q07820 1/20 0.43
▸ CYSLTR2 Q9NS75 1/20 0.42
▸ CYSLTR1 Q9Y271 1/20 0.42
▸ CYP3A4 P08684 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALOX15 P16050 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TERT O14746 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ RECQL P46063 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41

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
SCHEMBL24046878 0.86 CYP3A4 (0.43) LOXL2MCL1CYSLTR2CYSLTR1CYP3A4
SCHEMBL24046885 0.86 ALDH1A1 (0.44) LOXL2MCL1CYSLTR2CYSLTR1CYP3A4
SCHEMBL24046880 0.85 CSNK2A2 (0.55) MCL1CYSLTR2CYSLTR1CYP3A4ALDH1A1
SCHEMBL24046887 0.83 LOXL2 (0.41) LOXL2MCL1CYSLTR2CYSLTR1CYP3A4
SCHEMBL24046884 0.76 LOXL2 (0.42) LOXL2MCL1CYP3A4ALDH1A1HPGD
SCHEMBL21822771 0.75 CYP3A4 (0.67) LOXL2CYP3A4ALDH1A1HPGDCYP2C19
SCHEMBL24046881 0.73 LOXL2 (0.40) LOXL2MCL1CYP3A4ALDH1A1HPGD
SCHEMBL21822612 0.72 CYP3A4 (0.49) LOXL2CYP3A4ALDH1A1HPGDCYP2C19
SCHEMBL24046882 0.72 CSNK2A2 (0.54) CYSLTR2CYSLTR1CYP3A4ALDH1A1HPGD
SCHEMBL24046876 0.72 CSNK2A2 (0.54) CYSLTR2CYSLTR1CYP3A4ALDH1A1HPGD

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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