SCHEMBL28655968

SCHEMBL28655968

O=C(O)c1ccc(-n2nnnc2SCC(O)c2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.58
▸ MEN1 O00255 5/20 0.58
▸ PPARG P37231 1/20 0.57
▸ HPGD P15428 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ DHODH Q02127 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ EP300 Q09472 1/20 0.42

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
SCHEMBL28669731 0.89 MAPK1 (0.60) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL28660621 0.86 SMN1; SMN2 (0.58) KMT2AMEN1HPGDALDH1A1MAPK1
SCHEMBL28673736 0.85 HPGD (0.53) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL24019625 0.85 MEN1 (0.53) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL24029052 0.85 MEN1 (0.53) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL24029051 0.85 MEN1 (0.53) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL28654833 0.84 HPGD (0.54) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL28676731 0.83 HPGD (0.51) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL28669425 0.83 HPGD (0.53) KMT2AMEN1PPARGHPGDALDH1A1
SCHEMBL28670742 0.83 HPGD (0.50) KMT2AMEN1PPARGHPGDALDH1A1

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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