SCHEMBL6797955

SCHEMBL6797955

O=S(=O)(c1ccc(-c2cc(Cl)cc(Cl)c2)cc1)N1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.71
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.54
PKM P14618 2/20 0.52
ALDH1A1 P00352 2/20 0.51
IKBKB O14920 2/20 0.50
CHUK O15111 1/20 0.50
TDO2 P48775 1/20 0.49
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.47
ATM Q13315 1/20 0.46
MAPK8 P45983 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL6792531 0.84 MAPT (0.57) MAPTKMT2AMEN1HTTUSP2
SCHEMBL654548 0.84 MAPT (1.00) MAPTKMT2AMEN1HTTL3MBTL1
SCHEMBL4395824 0.84 MAPT (0.69) MAPTKMT2AMEN1USP2PKM
Hydrochloric Acid SCHEMBL3253197 0.82 MAPT (0.96) MAPTKMT2AMEN1HTTL3MBTL1
Hydrochloric Acid SCHEMBL17061716 0.82 MAPT (0.67) MAPTKMT2AMEN1USP2PKM
SCHEMBL4225535 0.81 ALDH1A1 (0.72) MAPTKMT2AMEN1USP2PKM
SCHEMBL6793664 0.80 MAPT (0.63) MAPTHTTPKMALDH1A1IKBKB
SCHEMBL6792483 0.80 PKM (0.73) MAPTKMT2AMEN1HTTPKM
SCHEMBL6789467 0.78 MAPT (0.66) MAPTKMT2AMEN1HTTL3MBTL1
SCHEMBL5304087 0.78 MAPT (0.87) MAPTKMT2AMEN1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO disclosed