SCHEMBL24047003

SCHEMBL24047003

C#Cc1cc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.61
▸ KDM4E B2RXH2 4/20 0.60
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ ABCG2 Q9UNQ0 2/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ CYP3A4 P08684 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ PPARG P37231 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ POLH Q9Y253 1/20 0.50
▸ PLG P00747 1/20 0.49
▸ MAOB P27338 4/20 0.48
▸ CCNC P24863 1/20 0.48
▸ CDK8 P49336 1/20 0.48
▸ BRD4 O60885 1/20 0.48

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
SCHEMBL24046780 0.86 ABCB1 (0.65) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8832339 0.84 ABCB1 (0.65) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL24046875 0.83 MAOB (0.60) ABCB1KDM4EMEN1KMT2AALDH1A1
Tetramethylluteolin SCHEMBL29572571 0.77 ABCB1 (0.80) ABCB1KDM4EMEN1KMT2AALDH1A1
Tetramethylluteolin SCHEMBL1421511 0.77 ABCB1 (0.80) ABCB1KDM4EMEN1KMT2AALDH1A1
Tetramethylluteolin SCHEMBL29725288 0.77 ABCB1 (0.80) ABCB1KDM4EMEN1KMT2AALDH1A1
Trimethylapigenin SCHEMBL29350875 0.77 ABCB1 (1.00) ABCB1KDM4EMEN1KMT2AALDH1A1
Trimethylapigenin SCHEMBL1421585 0.77 ABCB1 (1.00) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8833080 0.77 ABCB1 (0.63) ABCB1KDM4EMEN1KMT2AALDH1A1
SCHEMBL16894667 0.76 ABCB1 (0.74) ABCB1KDM4EMEN1KMT2AALDH1A1

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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