SCHEMBL30977231

SCHEMBL30977231

COc1ccc(Nc2cc(NCC(C)C)c(N)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY4 P51582 13/20 0.64
▸ P2RY2 P41231 7/20 0.64
▸ P2RY12 Q9H244 2/20 0.51
▸ MET P08581 2/20 0.48
▸ GNG2 P59768 2/20 0.47
▸ GNB1 P62873 2/20 0.47
▸ HGF P14210 1/20 0.47
▸ CDC25A P30304 1/20 0.46
▸ CDC25B P30305 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ NSD2 O96028 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 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
SCHEMBL29240057 1.00 P2RY4 (0.64) P2RY4P2RY2P2RY12METGNG2
SCHEMBL29240053 0.80 GNG2 (0.44) P2RY4P2RY2P2RY12GNG2GNB1
SCHEMBL29240047 0.78 EHMT2 (0.63) P2RY4P2RY2LMNAPOLBMAPT
SCHEMBL13214092 0.78 P2RY4 (0.80) P2RY4P2RY2P2RY12METGNG2
SCHEMBL3032283 0.77 P2RY4 (0.78) P2RY4P2RY2P2RY12METGNG2
SCHEMBL29460375 0.77 P2RY4 (1.00) P2RY4P2RY2P2RY12METHGF
SCHEMBL3032281 0.77 P2RY4 (1.00) P2RY4P2RY2P2RY12METHGF
SCHEMBL5273702 0.77 MAPT (0.65) P2RY4P2RY2CDC25ACDC25BKDM4E
SCHEMBL11535201 0.77 P2RY4 (0.61) P2RY4P2RY2P2RY12METCDC25A
SCHEMBL10808936 0.75 P2RY4 (0.62) P2RY4P2RY2P2RY12CDC25ACDC25B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255727-A Compound containing anthraquinone ring parent nucleus, preparation method and application thereof 杭州市第一人民医院 2024-06-28 — — CN claimed
CN-118255727-A Compound containing anthraquinone ring parent nucleus, preparation method and application thereof 杭州市第一人民医院 2024-06-28 — — CN disclosed
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