SCHEMBL28663116

SCHEMBL28663116

CS(=O)(=O)Nc1ccc(C(O)CSc2nnnn2-c2ccc(C(=O)O)cc2C2CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ADRB1 P08588 3/20 0.34
▸ ADRB3 P13945 3/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ADRB2 P07550 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL21952069 0.87 ALDH1A1 (0.44) TP53KMT2AMEN1LMNAALDH1A1
SCHEMBL29798375 0.87 ALDH1A1 (0.44) TP53KMT2AMEN1LMNAALDH1A1
SCHEMBL24019587 0.84 ALOX5 (0.39) TP53KMT2AMEN1LMNAALDH1A1
SCHEMBL28659325 0.83 KMT2A (0.51) TP53KMT2AMEN1ALDH1A1HPGD
SCHEMBL31396338 0.75 ALPL (0.43) TP53KMT2AMEN1LMNAALDH1A1
SCHEMBL28673736 0.73 HPGD (0.53) TP53KMT2AMEN1ALDH1A1HPGD
SCHEMBL28670742 0.72 HPGD (0.50) TP53KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL21952011 0.72 LMNA (0.47) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL28666198 0.72 ALDH1A1 (0.43) TP53KMT2AMEN1ALDH1A1HPGD
SCHEMBL28664794 0.71 HPGD (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD

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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