SCHEMBL31042937

SCHEMBL31042937

CC(=O)c1ccc(NC(=O)CCl)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
GSTO1 P78417 5/20 0.50
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
MITF O75030 2/20 0.47
RAB9A P51151 2/20 0.47
XBP1 P17861 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOD2 Q9HC29 1/20 0.47
PRMT1 Q99873 1/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45

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
SCHEMBL11060481 0.85 KMT2A (0.58) POLBSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL9821015 0.83 ALDH1A1 (0.48) SMN1; SMN2GSTO1ALDH1A1HTTLMNA
SCHEMBL14706934 0.81 ERCC1 (0.58) POLBSMN1; SMN2GSTO1ALDH1A1HTT
SCHEMBL31254026 0.81 SMN1; SMN2 (0.72) POLBSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL1258654 0.81 SMN1; SMN2 (0.72) POLBSMN1; SMN2ALDH1A1HTTLMNA
SCHEMBL917175 0.81 ALDH1A1 (0.55) POLBSMN1; SMN2GSTO1ALDH1A1HTT
SCHEMBL6570247 0.80 ALDH1A1 (0.69) POLBSMN1; SMN2GSTO1ALDH1A1HTT
SCHEMBL7076641 0.78 GSTO1 (0.57) SMN1; SMN2GSTO1ALDH1A1HTTLMNA
SCHEMBL9768522 0.78 ALDH1A1 (0.62) POLBSMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL8307201 0.77 POLB (0.74) POLBSMN1; SMN2ALDH1A1HTTLMNA

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
EP-4658647-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2025-12-10 EP disclosed
WO-2024160722-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2024-08-08 WO disclosed