SCHEMBL31493409

SCHEMBL31493409

O=[N+]([O-])c1ccc(OCCOCCOCCOCCOCCOCCBr)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 4/20 0.52
KCNH2 Q12809 6/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTT P42858 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 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
SCHEMBL8456712 0.91 ALDH1A1 (0.62) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL13264901 0.91 ALDH1A1 (0.62) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL2480658 0.90 KCNH2 (0.55) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL378659 0.90 KCNH2 (0.55) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL6228523 0.86 MAPT (0.65) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL28180185 0.84 MAPT (0.56) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL519168 0.84 DRD2 (0.58) ALDH1A1MAPTKCNH2DRD2DRD4
SCHEMBL23412608 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL7162702 0.83 MAPT (0.56) ALDH1A1LMNAMAPTKCNH2DRD2
SCHEMBL11155200 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTKCNH2DRD2

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
WO-2025076236-A1 METHODS AND COMPOUNDS FOR MODULATING HUNTINGTON'S DISEASE Design Therapeutics, Inc. (US) 2025-04-10 WO disclosed