SCHEMBL29263285

SCHEMBL29263285

O=C(CCl)Nc1ccc(Br)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 2/20 0.57
ALDH1A1 P00352 9/20 0.49
HTT P42858 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MITF O75030 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOD2 Q9HC29 1/20 0.49
LMNA P02545 4/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 2/20 0.48
PRMT1 Q99873 1/20 0.47
MAOB P27338 1/20 0.47
TSHR P16473 2/20 0.46
CASP3 P42574 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL22324856 0.87 ALDH1A1 (0.56) GSTO1ALDH1A1LMNAKMT2AMEN1
SCHEMBL29103846 0.87 GSTO1 (0.54) GSTO1ALDH1A1HTTSMN1; SMN2MITF
SCHEMBL30149351 0.87 GSTO1 (0.54) GSTO1ALDH1A1HTTSMN1; SMN2MITF
SCHEMBL29678256 0.84 TSHR (0.59) ALDH1A1HTTSMN1; SMN2MITFNPC1
SCHEMBL242212 0.84 TSHR (0.59) ALDH1A1HTTSMN1; SMN2MITFNPC1
SCHEMBL7933862 0.83 KMT2A (0.54) ALDH1A1RAB9ALMNAKMT2AMEN1
SCHEMBL16178932 0.83 KMT2A (0.49) GSTO1ALDH1A1LMNAKMT2AMEN1
SCHEMBL18640653 0.81 MEN1 (0.51) HTTSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL8125102 0.81 MEN1 (0.69) GSTO1ALDH1A1HTTSMN1; SMN2MITF
SCHEMBL10369646 0.80 KMT2A (0.68) ALDH1A1SMN1; SMN2RAB9ALMNAKMT2A

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 3 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
CN-118126030-A Preparation method of pyrazoline-1, 3, 4-oxadiazole thioacetamide derivative and application of pyrazoline-1, 3, 4-oxadiazole thioacetamide derivative as pesticide 贵州大学 2024-06-04 CN disclosed