SCHEMBL8813470

SCHEMBL8813470

O=[C]c1ccccc1Sc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NSD2 O96028 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37

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
SCHEMBL4874292 0.78 MAPT (0.44) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4011637 0.78 KDM4E (0.62) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL29669365 0.78 KDM4E (0.62) ALDH1A1MAPTHPGDKDM4ETDP1
SCHEMBL6896174 0.77 CYP1A2 (0.63) ALDH1A1MAPTHPGDKDM4EKMT2A
SCHEMBL8505956 0.77 APOBEC3G (0.40) MAPTKMT2AMEN1CYP1A2CYP3A4
SCHEMBL795029 0.75 SIRT1 (0.54) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL11646421 0.75 MAPT (0.46) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL624408 0.74 CYP3A4 (0.44) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL3900082 0.73 SIRT1 (0.52) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL3897205 0.73 SIRT1 (0.52) SIRT1ALDH1A1MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 US claimed
EP-2678311-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-01 EP claimed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 WO claimed
US-20140005301-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-02 US disclosed
EP-2678311-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2014-01-01 EP disclosed
WO-2012113829-A1 SULFONIUM SULFATES, THEIR PREPARATION AND USE BASF SE (DE) 2012-08-30 WO disclosed
EP-0805813-A1 TRICYCLIC VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-11-12 EP disclosed