SCHEMBL28654833

SCHEMBL28654833

O=C(O)c1ccc(-n2nnnc2SCC(O)c2ccc(O)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.54
▸ KMT2A Q03164 7/20 0.49
▸ MEN1 O00255 6/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ PPARG P37231 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 5/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ RECQL P46063 3/20 0.42
▸ ALPL P05186 3/20 0.41
▸ ALPG P10696 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28669425 0.89 HPGD (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28655968 0.84 KMT2A (0.58) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28669731 0.84 MAPK1 (0.60) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL24029051 0.82 MEN1 (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL24029052 0.82 MEN1 (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL24019625 0.82 MEN1 (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28661287 0.82 ALDH1A1 (0.47) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL28660621 0.81 SMN1; SMN2 (0.58) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL21952091 0.81 MAPT (0.60) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL31396323 0.81 MAPT (0.60) 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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