SCHEMBL30497674

SCHEMBL30497674

O=c1c(F)c(-c2ccccc2)oc2cc(O)c(O)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.56
▸ MEN1 O00255 7/20 0.56
▸ KMT2A Q03164 7/20 0.56
▸ ABCB1 P08183 6/20 0.56
▸ CYP3A4 P08684 6/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ MAPT P10636 5/20 0.56
▸ ALOX15 P16050 4/20 0.56
▸ HSD17B10 Q99714 4/20 0.56
▸ CYP1B1 Q16678 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ CYP1A1 P04798 2/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ XDH P47989 2/20 0.56
▸ FTO Q9C0B1 2/20 0.56
▸ USP2 O75604 2/20 0.56

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
SCHEMBL157972 0.87 MAPK8 (0.74) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL738107 0.84 MEN1 (0.70) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL28227307 0.83 MAPK8 (0.56) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL10514177 0.80 MEN1 (0.62) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL27685663 0.80 ABCB1 (0.73) ABCB1CYP3A4KDM4EMAPTCYP2D6
SCHEMBL6720285 0.77 ADORA3 (0.44) MEN1KMT2AABCB1CYP3A4KDM4E
SCHEMBL676342 0.77 KMT2A (0.58) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL10515447 0.75 MEN1 (0.59) MAPK8MEN1KMT2AABCB1CYP3A4
SCHEMBL10516225 0.75 MEN1 (0.59) MAPK8MEN1KMT2AABCB1CYP3A4
6-Hydroxykaempferol SCHEMBL674949 0.75 AMY1A (0.76) MAPK8MEN1KMT2AABCB1CYP3A4

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-112094255-B Scutellarin aglycone derivative, and preparation method and application thereof 昆明龙津药业股份有限公司 2023-05-09 — — CN disclosed
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