SCHEMBL9400339

SCHEMBL9400339

O=S(=O)(Cc1ccc2cc(CCBr)ccc2c1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 3/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9400451 0.83 LMNA (0.49) LMNAALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15919361 0.75 NPC1 (0.58) LMNAALDH1A1HPGDHSD17B10MEN1
SCHEMBL4180920 0.74 LMNA (0.43) LMNAALDH1A1HPGDKDM4EMAPT
SCHEMBL27728086 0.73 LMNA (0.68) LMNAALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL25546222 0.72 ALDH1A1 (0.55) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL4188852 0.72 LMNA (0.50) LMNAALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL3778246 0.71 LMNA (0.71) LMNAALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL4431302 0.70 LMNA (0.52) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9400319 0.70 HTR2A (0.54) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL27938396 0.70 TDP1 (0.48) LMNAKDM4ESMN1; SMN2MEN1KMT2A

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
US-5332759-A Treating a disorder due to vasodilation of the vascular system ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed