SCHEMBL24046881

SCHEMBL24046881

C#Cc1cc(-c2cc(=O)c3cccc(Br)c3o2)ncc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ CYP1A1 P04798 6/20 0.37
▸ CYP1B1 Q16678 6/20 0.37
▸ CYP1A2 P05177 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CYP3A4 P08684 4/20 0.36
▸ CYP2C19 P33261 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ ALOX15 P16050 3/20 0.36
▸ HSD17B10 Q99714 3/20 0.36
▸ TERT O14746 2/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36

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
SCHEMBL24046874 0.85 CSNK2A2 (0.46) CYP1A1CYP1B1CYP1A2ALDH1A1HPGD
SCHEMBL24046884 0.83 LOXL2 (0.42) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL24046887 0.79 LOXL2 (0.41) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL24046879 0.73 LOXL2 (0.44) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL24046885 0.72 ALDH1A1 (0.44) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL24046878 0.72 CYP3A4 (0.43) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL21822771 0.71 CYP3A4 (0.67) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL311288 0.69 LOXL2 (0.47) LOXL2CYP1A1CYP1B1CYP1A2ALDH1A1
SCHEMBL21822612 0.68 CYP3A4 (0.49) LOXL2ALDH1A1HPGDMEN1KMT2A
SCHEMBL24046883 0.68 CSNK2A2 (0.51) CYP1A1CYP1B1CYP1A2CSNK2A2CSNK2B

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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