SCHEMBL28986431

SCHEMBL28986431

O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12.O=c1cc(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBS P35520 2/20 0.78
▸ CDK5 Q00535 2/20 0.78
▸ CDK5R1 Q15078 2/20 0.78
▸ PTPN1 P18031 2/20 0.78
▸ KMT2A Q03164 4/20 0.72
▸ PKM P14618 4/20 0.72
▸ MAPT P10636 4/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ APEX1 P27695 3/20 0.72
▸ TDP1 Q9NUW8 2/20 0.72
▸ POLB P06746 2/20 0.72
▸ RECQL P46063 2/20 0.72
▸ BLM P54132 2/20 0.72
▸ MCL1 Q07820 2/20 0.72
▸ INPPL1 O15357 1/20 0.72
▸ ALPL P05186 1/20 0.72
▸ ALPI P09923 1/20 0.72
▸ GAA P10253 1/20 0.72
▸ ALPG P10696 1/20 0.72
▸ PFKFB3 Q16875 1/20 0.72

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
SCHEMBL29435853 1.00 CBS (0.78) CBSCDK5CDK5R1PTPN1KMT2A
SCHEMBL476215 1.00 CBS (0.78) CBSCDK5CDK5R1PTPN1KMT2A
Cupressuflavone SCHEMBL31670258 0.88 CBS (1.00) CBSCDK5CDK5R1PTPN1KMT2A
Cupressuflavone SCHEMBL505213 0.88 CBS (1.00) CBSCDK5CDK5R1PTPN1KMT2A
Norwogonin SCHEMBL30485998 0.88 GABRP (0.68) CBSCDK5CDK5R1PTPN1KMT2A
SCHEMBL24840880 0.88 KMT2A (0.72) CBSCDK5CDK5R1PTPN1KMT2A
Norwogonin SCHEMBL760431 0.88 GABRP (0.68) CBSCDK5CDK5R1PTPN1KMT2A
Cupressuflavone SCHEMBL4650575 0.86 CBS (0.97) CBSCDK5CDK5R1PTPN1KMT2A
Hypolaetin SCHEMBL29929136 0.86 BCL2 (0.69) CBSCDK5CDK5R1PTPN1KMT2A
Hypolaetin SCHEMBL29435843 0.86 BCL2 (0.69) CBSCDK5CDK5R1PTPN1KMT2A

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-115992106-A Apigenin 8-position hydroxylase protein, and coding gene and application thereof 中国中医科学院中药研究所 2023-04-21 — — CN disclosed
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