SCHEMBL31396379

SCHEMBL31396379

NC(=O)c1cccc(CNC(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2C2CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CPB1 P15086 1/20 0.41

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
SCHEMBL21952094 1.00 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL28666198 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL21952075 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL31396071 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL31396264 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL21952059 0.80 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL21952023 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL31396267 0.78 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL12717727 0.77 MEN1 (0.70) ALDH1A1MEN1KMT2AMAPK1LMNA
SCHEMBL29798283 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1MAPK1

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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