SCHEMBL7845754

SCHEMBL7845754

c1ccc(N2OSO2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.37
GSK3B P49841 3/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MGLL Q99685 1/20 0.33
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
GAA P10253 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4397208 0.69 LMNA (0.37) GSK3AGSK3BLMNAALDH1A1HPGD
SCHEMBL3412417 0.67 LMNA (0.41) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL10582068 0.67 LMNA (0.46) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL13078390 0.65 GAA (0.46) ALDH1A1TSHRKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL5446411 0.65 LMNA (0.39) LMNAALDH1A1HPGDKDM4EMEN1
SCHEMBL25902071 0.63 ALDH1A1 (0.40) GSK3AGSK3BLMNAALDH1A1KDM4E
SCHEMBL6049417 0.63 LMNA (0.43) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2466051 0.63 LMNA (0.42) GSK3AGSK3BLMNAALDH1A1HPGD
SCHEMBL2390706 0.61 KDM4E (0.50) GSK3AGSK3BLMNAALDH1A1HPGD
SCHEMBL13321978 0.59 LMNA (0.39) GSK3AGSK3BLMNAALDH1A1HPGD

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-0686613-B1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KK (JP) 2001-11-14 EP disclosed
US-5770729-A SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-06-23 US disclosed
EP-0686613-A1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed