SCHEMBL24047002

SCHEMBL24047002

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.59
▸ CYP3A4 P08684 3/20 0.59
▸ TP53 P04637 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ PLG P00747 1/20 0.48
▸ ABCB1 P08183 4/20 0.48
▸ CSNK2A2 P19784 1/20 0.47
▸ CSNK2B P67870 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ MAOB P27338 7/20 0.47
▸ FLT3 P36888 3/20 0.47
▸ IP6K2 Q9UHH9 2/20 0.47
▸ MKNK2 Q9HBH9 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ MAOA P21397 3/20 0.47
▸ ADORA3 P0DMS8 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45

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
SCHEMBL24046787 0.88 CSNK2A2 (0.53) MAPTCYP3A4TP53SMN1; SMN2ABCB1
SCHEMBL24046794 0.82 MAOB (0.63) MAPTCYP3A4TP53SMN1; SMN2ABCB1
Methoxyvone SCHEMBL29373562 0.75 CYP3A4 (1.00) MAPTCYP3A4TP53SMN1; SMN2ABCB1
Methoxyvone SCHEMBL3409370 0.75 CYP3A4 (1.00) MAPTCYP3A4TP53SMN1; SMN2ABCB1
SCHEMBL24046780 0.75 ABCB1 (0.65) MAPTCYP3A4PLGABCB1CSNK2A2
SCHEMBL24046902 0.73 TNKS (0.64) MAPTCYP3A4TP53SMN1; SMN2ABCB1
SCHEMBL24047003 0.72 ABCB1 (0.61) MAPTCYP3A4TP53SMN1; SMN2PLG
SCHEMBL20664412 0.71 ADORA3 (0.76) MAPTCYP3A4TP53SMN1; SMN2ABCB1
SCHEMBL24046933 0.70 ABCB1 (0.76) MAPTCYP3A4SMN1; SMN2ABCB1MAOB
SCHEMBL20868304 0.69 MAPT (0.79) MAPTCYP3A4TP53SMN1; SMN2PLG

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
Send feedback