SCHEMBL24046885

SCHEMBL24046885

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ CYSLTR2 Q9NS75 1/20 0.41
▸ CYSLTR1 Q9Y271 1/20 0.41
▸ CYP3A4 P08684 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 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPK1 P28482 2/20 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
SCHEMBL24046879 0.86 LOXL2 (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046878 0.85 CYP3A4 (0.43) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046882 0.85 CSNK2A2 (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046887 0.82 LOXL2 (0.41) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046884 0.75 LOXL2 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21822771 0.74 CYP3A4 (0.67) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21822853 0.73 HPGD (0.49) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046881 0.72 LOXL2 (0.40) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL24046880 0.72 CSNK2A2 (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL21822612 0.71 CYP3A4 (0.49) ALDH1A1HPGDMEN1KMT2ASMN1; 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 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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