SCHEMBL28655780

SCHEMBL28655780

NC(=O)c1cccc(CNC(O)CSc2nnnn2-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ HPGD P15428 3/20 0.55
▸ KMT2A Q03164 11/20 0.54
▸ MEN1 O00255 10/20 0.54
▸ TP53 P04637 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ PPARG P37231 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL28681663 0.88 HPGD (0.56) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28676728 0.86 HPGD (0.53) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28660619 0.86 HPGD (0.53) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28666198 0.85 ALDH1A1 (0.43) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL21952075 0.83 MEN1 (0.65) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL31396071 0.83 MEN1 (0.65) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28929896 0.83 ALDH1A1 (0.53) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28669731 0.76 MAPK1 (0.60) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL28980860 0.73 HPGD (0.46) MAPK1ATMHPGDKMT2AMEN1
SCHEMBL24019628 0.72 HPGD (0.62) MAPK1ATMHPGDKMT2AMEN1

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-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
CN-113677340-A Compounds that selectively and efficiently inhibit Hakai-mediated ubiquitination as anti-cancer agents 诺沃亚桑托斯教授基金会 2021-11-19 — — CN disclosed
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