SCHEMBL20664412

SCHEMBL20664412

COc1ccc(-c2cc(=O)c3c(C)cc(C)cc3o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.76
▸ MAPT P10636 7/20 0.69
▸ CYP3A4 P08684 6/20 0.69
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ TP53 P04637 4/20 0.69
▸ CSNK2A2 P19784 1/20 0.67
▸ CSNK2B P67870 1/20 0.67
▸ CSNK2A1 P68400 1/20 0.67
▸ ABCB1 P08183 2/20 0.67
▸ MAOB P27338 5/20 0.65
▸ CYP19A1 P11511 1/20 0.65
▸ ALDH1A1 P00352 7/20 0.64
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ FLT3 P36888 4/20 0.62
▸ NPC1 O15118 4/20 0.62
▸ RAB9A P51151 4/20 0.62
▸ KCNA5 P22460 3/20 0.62
▸ KCNH2 Q12809 3/20 0.62
▸ LMNA P02545 3/20 0.62

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
SCHEMBL20100895 0.88 ABCB1 (0.82) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL20868304 0.86 MAPT (0.79) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL20664434 0.86 ADORA3 (1.00) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL28588026 0.84 CYP3A4 (0.62) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL28568538 0.82 CYP3A4 (0.72) ADORA3MAPTCYP3A4SMN1; SMN2TP53
Methoxyvone SCHEMBL3409370 0.82 CYP3A4 (1.00) ADORA3MAPTCYP3A4SMN1; SMN2TP53
Methoxyvone SCHEMBL29373562 0.82 CYP3A4 (1.00) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL13479744 0.81 CSNK2A2 (0.64) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL16521507 0.81 MAPT (0.71) ADORA3MAPTCYP3A4SMN1; SMN2TP53
SCHEMBL15268315 0.80 MAOB (0.68) ADORA3MAPTCYP3A4SMN1; SMN2TP53

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
EP-2828248-B1 FLAVONE DERIVATIVES AND THEIR USE TWINCORE GMBH (DE) 2019-01-23 — — EP disclosed
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