SCHEMBL8772441

SCHEMBL8772441

O=C1CC(SCc2ccccc2)N1CCCCCCc1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37
PTGER4 P35408 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX12 P18054 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
SCHEMBL8442979 0.93 GSK3A (0.46) GSK3AGSK3BMEN1KMT2ATDP1
SCHEMBL8440233 0.92 FAAH (0.44) GSK3AGSK3BMEN1KMT2ATDP1
SCHEMBL8772537 0.88 POLB (0.40) GSK3AGSK3BTDP1L3MBTL1SIGMAR1
SCHEMBL8438564 0.88 GSK3A (0.43) GSK3AGSK3BMEN1KMT2AL3MBTL1
SCHEMBL8440452 0.82 HSP90AA1 (0.47) MEN1KMT2AL3MBTL1LMNA
SCHEMBL8443375 0.82 GAA (0.44) GSK3AGSK3BMEN1KMT2AL3MBTL1
SCHEMBL8552167 0.81 HRH3 (0.42) SIGMAR1
SCHEMBL8553484 0.79 HRH3 (0.47) MEN1KMT2ASIGMAR1
SCHEMBL8551063 0.78 HTR2A (0.41) MEN1KMT2ATDP1SIGMAR1MAPT
SCHEMBL8552527 0.78 HRH3 (0.41) SIGMAR1

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed