SCHEMBL28673393

SCHEMBL28673393

N#Cc1cc(C(=O)O)ccc1-n1nnnc1SCC(O)NCc1cccc(C2CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HPGD P15428 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ KDM1A O60341 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.32
▸ ACMSD Q8TDX5 1/20 0.32

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
SCHEMBL31396264 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL21952059 0.88 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1HPGDPOLB
SCHEMBL28660619 0.85 HPGD (0.53) ALDH1A1KMT2AMEN1HPGDTP53
SCHEMBL28666198 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1HPGDTP53
SCHEMBL28676728 0.77 HPGD (0.53) ALDH1A1KMT2AMEN1HPGDTP53
SCHEMBL30278746 0.74 TSHR (0.51) ALDH1A1KMT2AMEN1HPGDTP53
SCHEMBL21952088 0.74 TSHR (0.51) ALDH1A1KMT2AMEN1HPGDTP53
SCHEMBL21952023 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL31396267 0.73 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL28681663 0.73 HPGD (0.56) ALDH1A1KMT2AMEN1HPGDTP53

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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