SCHEMBL28568624

SCHEMBL28568624

Cc1cc(C)c2c(=O)cc(-c3cccc4ccccc34)oc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ATM Q13315 2/20 0.50
▸ ABCG2 Q9UNQ0 2/20 0.47
▸ PAX8 Q06710 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ MAPK3 P27361 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.46
▸ CSNK2B P67870 1/20 0.46
▸ CSNK2A1 P68400 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL28568538 0.77 CYP3A4 (0.72) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL530293 0.77 HPGD (0.67) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL31061270 0.77 HPGD (0.67) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL28925280 0.75 ADORA3 (0.50) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL28914421 0.72 GABRP (0.57) TP53CYP3A4MAPTCYP1A1CYP1A2
SCHEMBL8371962 0.71 ABCG2 (0.69) AHRMEN1KMT2ATP53CYP3A4
SCHEMBL13598259 0.71 CSNK2A2 (0.51) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL13479744 0.71 CSNK2A2 (0.64) MEN1KMT2ATP53CYP3A4MAPT
SCHEMBL30482431 0.70 HTR2C (0.46) MEN1KMT2AMAPTCYP1A2MAOA
SCHEMBL17786570 0.70 EGFR (0.58) AHRMEN1KMT2ATP53CYP3A4

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
CN-112939917-A Preparation method of flavonoid compound 中山大学 2021-06-11 — — CN disclosed
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