SCHEMBL31396071

SCHEMBL31396071

NC(=O)c1cccc(CNC(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.65
▸ KMT2A Q03164 7/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ ATM Q13315 1/20 0.58
▸ HPGD P15428 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ ALPG P10696 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ APEX1 P27695 1/20 0.52
▸ RECQL P46063 1/20 0.52

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
SCHEMBL21952075 1.00 MEN1 (0.65) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL12717727 0.89 MEN1 (0.70) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL22010389 0.88 HPGD (0.69) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL21952070 0.88 MEN1 (0.61) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL31396394 0.88 MEN1 (0.61) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL21952060 0.85 KMT2A (0.58) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL31396269 0.85 KMT2A (0.58) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL21952023 0.84 ALDH1A1 (0.58) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL31396267 0.84 ALDH1A1 (0.58) MEN1KMT2ANPSR1ALDH1A1MAPK1
SCHEMBL21952094 0.84 ALDH1A1 (0.60) MEN1KMT2ANPSR1ALDH1A1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
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