SCHEMBL28681663

SCHEMBL28681663

O=C(O)c1ccc(-n2nnnc2SCC(O)NCc2cccc(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.56
▸ KMT2A Q03164 6/20 0.55
▸ MEN1 O00255 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PPARG P37231 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ RECQL P46063 1/20 0.44

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
SCHEMBL28655780 0.88 MAPK1 (0.56) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28676728 0.86 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28660619 0.86 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28929896 0.84 ALDH1A1 (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL21952070 0.83 MEN1 (0.61) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL31396394 0.83 MEN1 (0.61) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL21951990 0.77 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL30278744 0.77 HPGD (0.50) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28980860 0.74 HPGD (0.46) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28666198 0.74 ALDH1A1 (0.43) 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 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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