SCHEMBL30829508

SCHEMBL30829508

O=C(NCCCCCOc1ccccc1Br)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.58
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 1/20 0.50
FOLH1 Q04609 1/20 0.47
ANPEP P15144 1/20 0.47
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP9 P14780 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
SCHEMBL30829589 0.91 LMNA (0.65) TGM2HTTLMNASMN1; SMN2KDM4E
SCHEMBL30829573 0.84 TGM2 (0.57) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.84 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.82 HTT (0.81) TGM2HTTLMNASMN1; SMN2KMT2A
SCHEMBL24990083 0.80 TGM2 (0.65) TGM2HTTLMNASMN1; SMN2KDM4E
SCHEMBL19957878 0.80 TGM2 (0.65) TGM2HTTLMNASMN1; SMN2KDM4E
SCHEMBL30829605 0.80 L3MBTL1 (0.54) TGM2HTTLMNASMN1; SMN2MEN1
SCHEMBL30829577 0.80 HTT (0.58) TGM2HTTLMNASMN1; SMN2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029147-A Probes for MAGL 豪夫迈·罗氏有限公司 2026-05-12 CN disclosed
EP-4590673-A1 FLUORESCENT PROBES FOR MAGL F. Hoffmann-La Roche AG (CH) 2025-07-30 EP disclosed
WO-2025082936-A1 PROBES FOR MAGL F. HOFFMANN-LA ROCHE AG (CH) 2025-04-24 WO disclosed
WO-2024061853-A1 FLUORESCENT PROBES FOR MAGL F. HOFFMANN-LA ROCHE AG (CH) 2024-03-28 WO disclosed