SCHEMBL28676728

SCHEMBL28676728

N#Cc1cccc(CNC(O)CSc2nnnn2-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.53
▸ KMT2A Q03164 8/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAPK1 P28482 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ PPARG P37231 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL28681663 0.86 HPGD (0.56) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL28655780 0.86 MAPK1 (0.56) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL28660619 0.84 HPGD (0.53) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL21952060 0.84 KMT2A (0.58) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL31396269 0.84 KMT2A (0.58) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL28980860 0.82 HPGD (0.46) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL28929896 0.81 ALDH1A1 (0.53) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL21952006 0.78 HPGD (0.47) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL30278755 0.78 HPGD (0.47) HPGDKMT2AMEN1NPSR1MAPK1
SCHEMBL28673393 0.77 ALDH1A1 (0.41) HPGDKMT2AMEN1NPSR1MAPK1

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
Send feedback