SCHEMBL24046878

SCHEMBL24046878

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LOXL2 Q9Y4K0 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ RECQL P46063 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 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) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046885 0.85 ALDH1A1 (0.44) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046876 0.85 CSNK2A2 (0.54) CYP3A4CYP2C19TSHRALDH1A1HPGD
SCHEMBL24046887 0.82 LOXL2 (0.41) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL21822771 0.77 CYP3A4 (0.67) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046884 0.75 LOXL2 (0.42) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046881 0.72 LOXL2 (0.40) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046880 0.72 CSNK2A2 (0.55) CYP3A4CYP2C19ALDH1A1HPGDMEN1
SCHEMBL21822612 0.71 CYP3A4 (0.49) CYP3A4CYP2C19TSHRLOXL2ALDH1A1
SCHEMBL24046882 0.71 CSNK2A2 (0.54) CYP3A4ALDH1A1HPGDMEN1KMT2A

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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