SCHEMBL3247434

SCHEMBL3247434

O=S(=O)(O)c1cccc2c1CCNC2

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD44 P16070 2/20 0.53
PNMT P11086 7/20 0.44
MAOB P27338 1/20 0.44
PRCP P42785 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SCN9A Q15858 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
RRM1 P23921 1/20 0.36
RRM2B Q7LG56 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR5A P47898 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
NR2E1 Q9Y466 1/20 0.36

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
SCHEMBL3243586 0.87 PNMT (0.55) CD44PNMTMAOBPRCPADRA2A
SCHEMBL14874208 0.83 CD44 (0.53) CD44PNMTMAOBPRCPADRA2A
SCHEMBL5408570 0.83 PNMT (0.58) CD44PNMTMAOBPRCPADRA2A
SCHEMBL14407965 0.83 CD44 (0.53) CD44PNMTMAOBPRCPADRA2A
SCHEMBL11117006 0.78 TTR (0.41) PNMTKDM4E
SCHEMBL4961562 0.75 BCL2L1 (0.52) KDM4E
SCHEMBL7916810 0.75 BCL2L1 (0.47) KDM4E
SCHEMBL5880562 0.75 KMT2A (0.47) CD44SCN9AKDM4E
SCHEMBL28751491 0.74 PNMT (0.52) CD44PNMTMAOBADRA2AADRA2B
1,2,3,4-Tetrahydroisoquinoline SCHEMBL29883325 0.73 PNMT (0.76) CD44PNMTMAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed