SCHEMBL31396326

SCHEMBL31396326

Nc1ccc(C(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.57
▸ MAPT P10636 6/20 0.56
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ ALDH1A1 P00352 6/20 0.56
▸ POLB P06746 5/20 0.56
▸ ALPL P05186 4/20 0.56
▸ ALPG P10696 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ GAA P10253 3/20 0.56
▸ RECQL P46063 3/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ TSHR P16473 3/20 0.55
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ JAK2 O60674 2/20 0.53
▸ USP2 O75604 2/20 0.53

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
SCHEMBL21952028 1.00 HPGD (0.57) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL31396323 0.88 MAPT (0.60) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL21952091 0.88 MAPT (0.60) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL21951986 0.87 MAPT (0.71) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL21952033 0.84 MEN1 (0.73) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24209682 0.83 MAPT (0.71) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL21952080 0.83 HPGD (0.58) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24209661 0.81 MAPT (0.64) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24209657 0.81 MAPT (0.82) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL24209664 0.81 ALPL (0.73) HPGDMAPTMEN1KMT2AALDH1A1

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
Send feedback