SCHEMBL9641995

SCHEMBL9641995

CCN1C(=O)CC(=O)N(CC)C1=S.CS(=O)(=O)c1ccccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
ALDH1A1 P00352 6/20 0.33
HTT P42858 3/20 0.33
POLB P06746 3/20 0.33
MAPK1 P28482 3/20 0.33
ADRA1A P35348 2/20 0.32
LMNA P02545 4/20 0.32
TNFRSF1A P19438 2/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1B P35368 1/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 3/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9641943 0.75 KMT2A (0.43) ALDH1A1POLBMAPK1LMNAMEN1
SCHEMBL1033205 0.73 F2 (0.43) ALDH1A1HTTPOLBMAPK1LMNA
SCHEMBL648702 0.73 BCAT2 (0.40) DRD2ADRA1AADRA2AADRA2CADRA1D
Barbituric Acid SCHEMBL9641626 0.71 TDP2 (0.38) DRD2ALDH1A1ADRA1ALMNAADRA2A
SCHEMBL9640746 0.69 PTGS2 (0.36) DRD2ADRA1ALMNAADRA2AADRA2C
SCHEMBL6131058 0.68 NPC1 (0.50) ALDH1A1HTTMAPK1LMNAMEN1
SCHEMBL9641951 0.67 ALDH1A1 (0.35) ALDH1A1POLBADRA1AADRA2AADRA2C
SCHEMBL12825337 0.66 GSK3B (0.41) DRD2ALDH1A1LMNABRD4MEN1
SCHEMBL9641657 0.66 ADRA1A (0.32) ALDH1A1MAPK1ADRA1AADRA2AADRA2C
SCHEMBL12194191 0.65 F2 (0.39) ALDH1A1HTTPOLBMAPK1LMNA

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
US-5106407-A Algicides, funcilides, bactericides THE DOW CHEMICAL COMPANY (US) 1992-04-21 US disclosed