SCHEMBL4673092

SCHEMBL4673092

c1cc(SC2CC[N]CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DDAH1 O94760 1/20 0.41
NOS1 P29475 1/20 0.41
PTGIR P43119 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL9750629 0.87 MEN1 (0.48) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL12949506 0.81 MAOA (0.53) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL3128507 0.81 CARM1 (0.44) DDB1CRBNPTGIRMAOAMAOB
SCHEMBL15015409 0.78 DDB1 (0.40) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL4671081 0.78 CRBN (0.41) DDB1CRBNMEN1KMT2APTGIR
SCHEMBL4670744 0.78 MEN1 (0.45) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL3123653 0.78 CRBN (0.41) DDB1CRBNMEN1KMT2APTGIR
Hydrochloric Acid SCHEMBL5269331 0.76 MEN1 (0.44) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL12676793 0.75 CARM1 (0.43) DDB1CRBNMEN1KMT2ADDAH1
SCHEMBL8111506 0.72 HRH3 (0.38) DDB1CRBNMEN1KMT2ADDAH1

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-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