SCHEMBL4557553

SCHEMBL4557553

Clc1nc(Cl)nc(N2CCC3(CC2)OCCO3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.40
POLB P06746 2/20 0.37
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
PTPN11 Q06124 1/20 0.37
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
SORD Q00796 1/20 0.35
LGMN Q99538 1/20 0.34
FLT3 P36888 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL9086580 0.82 TACR2 (0.44) TACR2POLBMAPTL3MBTL1PTPN11
SCHEMBL9083987 0.79 MAPT (0.43) POLBMAPTL3MBTL1HSD17B10ALDH1A1
SCHEMBL6987180 0.78 PTPN11 (0.42) TACR2MAPTPTPN11ALDH1A1SMN1; SMN2
SCHEMBL9083863 0.77 MAPT (0.44) TACR2MAPTPTPN11HSD17B10ALDH1A1
SCHEMBL9948445 0.75 KMT2A (0.50) MAPTL3MBTL1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL12490953 0.75 PTPN11 (0.43) TACR2POLBMAPTPTPN11HSD17B10
SCHEMBL6351916 0.75 MAPT (0.45) POLBMAPTHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9418612 0.75 SORD (0.49) MAPTL3MBTL1HSD17B10ALDH1A1SMN1; SMN2
SCHEMBL38827 0.74 MAPT (0.57) POLBMAPTL3MBTL1HSD17B10ALDH1A1
SCHEMBL10609657 0.72 CYP3A4 (0.51) POLBMAPTPTPN11HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed