SCHEMBL31396267

SCHEMBL31396267

O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)NCc1cccc(C2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL21952023 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL21952059 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL31396264 0.86 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL22010389 0.86 HPGD (0.69) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL21952070 0.85 MEN1 (0.61) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL31396394 0.85 MEN1 (0.61) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL28660619 0.85 HPGD (0.53) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL29798283 0.85 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL31396071 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2ANPSR1HPGD
SCHEMBL21952075 0.84 MEN1 (0.65) ALDH1A1MEN1KMT2ANPSR1HPGD

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