SCHEMBL28678932

SCHEMBL28678932

NC(=O)c1ccc(C(O)CSc2nnnn2-c2ccc(C(=O)O)c(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MEN1 O00255 11/20 0.48
▸ KMT2A Q03164 11/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALPL P05186 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ ALPG P10696 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ CPB1 P15086 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALOX5 P09917 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 0.86 MAPK1 (0.60) TSHRMAPK1ATMMEN1KMT2A
SCHEMBL21952052 0.84 KMT2A (0.63) TSHRMAPK1ATMMEN1KMT2A
SCHEMBL28655968 0.76 KMT2A (0.58) TSHRMAPK1ATMMEN1KMT2A
SCHEMBL28655970 0.75 ALDH1A1 (0.49) TSHRMAPK1ATMMEN1KMT2A
SCHEMBL28660621 0.73 SMN1; SMN2 (0.58) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL24029052 0.73 MEN1 (0.53) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL24019625 0.73 MEN1 (0.53) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL28669425 0.73 HPGD (0.53) TSHRMAPK1ATMMEN1KMT2A
SCHEMBL24029051 0.73 MEN1 (0.53) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL28673736 0.73 HPGD (0.53) TSHRMAPK1ATMMEN1KMT2A

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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