SCHEMBL30053201

SCHEMBL30053201

COc1cc(OC)c2c(=O)[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ BRD4 O60885 7/20 0.60
▸ BRD2 P25440 1/20 0.60
▸ CSNK1A1 P48729 1/20 0.60
▸ CSNK1D P48730 1/20 0.60
▸ CSNK1E P49674 1/20 0.60
▸ CSNK1G2 P78368 1/20 0.60
▸ BRD3 Q15059 1/20 0.60
▸ CSNK1G1 Q9HCP0 1/20 0.60
▸ TNKS O95271 1/20 0.56
▸ PARP1 P09874 1/20 0.56
▸ TNKS2 Q9H2K2 1/20 0.56
▸ IL17A Q16552 1/20 0.55
▸ HDAC3 O15379 6/20 0.54
▸ HDAC4 P56524 6/20 0.54
▸ HDAC1 Q13547 6/20 0.54
▸ HDAC7 Q8WUI4 6/20 0.54
▸ HDAC2 Q92769 6/20 0.54

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
SCHEMBL348420 1.00 KDM4E (0.65) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL378252 0.96 KDM4E (0.61) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL30053496 0.90 BRD4 (0.58) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL378020 0.90 BRD4 (0.58) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL348652 0.90 BRD4 (0.58) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL30052318 0.89 BRD4 (0.55) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL377720 0.89 BRD4 (0.55) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL378038 0.89 BRD4 (0.55) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL377629 0.88 BRD4 (0.62) KDM4EALDH1A1MAPTBRD4BRD2
SCHEMBL377547 0.88 BRD4 (0.59) KDM4EALDH1A1MAPTBRD4BRD2

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-114984016-A Compositions and methods for treating complement-associated diseases 雷斯韦洛吉克斯公司 2022-09-02 — — CN claimed
CN-114984016-A Compositions and methods for treating complement-associated diseases 雷斯韦洛吉克斯公司 2022-09-02 — — CN disclosed
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