SCHEMBL4670744

SCHEMBL4670744

c1cc(SC2CCNCC2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
DDAH1 O94760 1/20 0.39
NOS1 P29475 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PTGIR P43119 1/20 0.39
ADRB2 P07550 1/20 0.38
NCF1 P14598 1/20 0.38
PLD1 Q13393 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
IKBKB O14920 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
Hydrochloric Acid SCHEMBL5269331 0.98 MEN1 (0.44) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL9750629 0.85 MEN1 (0.48) MEN1KMT2ACYP1A2DDB1CRBN
Hydrochloric Acid SCHEMBL23410190 0.80 SLC18A3 (0.45) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL12949506 0.79 MAOA (0.53) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL1143535 0.79 SLC18A3 (0.48) MEN1KMT2ACYP1A2DDB1CRBN
Ammonia Solution, Strong SCHEMBL8838918 0.78 SLC18A3 (0.47) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL4673092 0.78 DDB1 (0.41) MEN1KMT2ACYP1A2DDB1CRBN
Hydrochloric Acid SCHEMBL1019763 0.78 SLC18A3 (0.47) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL2547361 0.76 DDB1 (0.45) MEN1KMT2ACYP1A2DDB1CRBN
SCHEMBL2795867 0.76 CYP1A2 (0.49) MEN1KMT2ACYP1A2DDB1CRBN

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 11 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
CN-1093125-C Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-23 CN 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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
CN-1250445-A Sulfamide-metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2000-04-12 CN disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed
WO-1998016539-A1 NOVEL THERAPEUTICALLY ACTIVE ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1998-04-23 WO disclosed