SCHEMBL28980860

SCHEMBL28980860

N#Cc1ccc(CNC(O)CSc2nnnn2-c2ccc(C(=O)O)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.46
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 6/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL21952079 0.84 NPSR1 (0.52) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28678930 0.83 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28676728 0.82 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL21952083 0.77 HPGD (0.52) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL24209687 0.76 KDM4E (0.48) KMT2AMEN1ALDH1A1MAPK1POLB
SCHEMBL28681663 0.74 HPGD (0.56) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL21952064 0.74 MAPT (0.60) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28655780 0.73 MAPK1 (0.56) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28660619 0.72 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28660616 0.71 HPGD (0.46) HPGDKMT2AMEN1ALDH1A1MAPK1

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-115768422-A Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2023-03-07 — — CN disclosed
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