SCHEMBL4675111

SCHEMBL4675111

c1ccc(SC2CC[N]CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.47
EHMT1 Q9H9B1 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
CRBN Q96SW2 2/20 0.45
DDB1 Q16531 1/20 0.45
HCRTR2 O43614 1/20 0.38
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 3/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC8 Q9BY41 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL9666109 0.89 CRBN (0.47) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL10640635 0.88 EHMT2 (0.54) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL15271041 0.85 EHMT2 (0.50) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL15271518 0.85 EHMT2 (0.50) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL28455598 0.83 EHMT2 (0.48) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL12949631 0.83 EHMT2 (0.48) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL15271760 0.83 EHMT2 (0.48) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL9665159 0.81 EHMT2 (0.50) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL24483635 0.80 EHMT2 (0.45) EHMT2EHMT1APOBEC3GCRBNDDB1
SCHEMBL4675115 0.80 KMT2A (0.57) EHMT2EHMT1APOBEC3GCRBNDDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
EP-0500835-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE. DAE WOONG PHARMA (KR) 1992-09-02 EP disclosed
WO-1992004342-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1992-03-19 WO disclosed