SCHEMBL28669727

SCHEMBL28669727

NC(=O)c1ccc2c(c1)CCN2C(O)CSc1nnnn1-c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.48
▸ KMT2A Q03164 9/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 3/20 0.45
▸ PPARG P37231 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28659024 0.89 ALDH1A1 (0.48) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL28673832 0.89 MEN1 (0.53) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL28660616 0.88 HPGD (0.46) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL28664789 0.87 HPGD (0.45) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL28655707 0.86 ALDH1A1 (0.51) MEN1KMT2AMAPK1ALDH1A1HPGD
SCHEMBL21952051 0.82 TSHR (0.65) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL28669731 0.76 MAPK1 (0.60) MEN1KMT2AMAPK1ATMALDH1A1
SCHEMBL21952015 0.76 TSHR (0.70) MEN1KMT2AMAPK1ALDH1A1TDP1
SCHEMBL30278759 0.76 TSHR (0.70) MEN1KMT2AMAPK1ALDH1A1TDP1
SCHEMBL21952008 0.75 TSHR (0.42) MEN1KMT2AMAPK1ATMALDH1A1

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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