SCHEMBL3848560

SCHEMBL3848560

CCOC(=O)c1cnc(SC)nc1Nc1ccccc1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.78
ALDH1A1 P00352 4/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
SYK P43405 2/20 0.66
MAPK1 P28482 1/20 0.64
HTT P42858 1/20 0.64
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
FOS P01100 1/20 0.54
JUN P05412 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HPGD P15428 1/20 0.53
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL2174009 0.89 ALDH1A1 (0.76) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL5236888 0.87 MAPT (0.69) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1313596 0.86 SYK (0.79) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1774109 0.82 ALDH1A1 (0.63) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1814172 0.81 MAPT (0.65) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL4854253 0.81 HTT (0.72) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1773964 0.81 MAPT (0.64) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1774892 0.81 MAPT (0.64) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL29545771 0.80 ALDH1A1 (0.70) MAPTALDH1A1SMN1; SMN2SYKMAPK1
SCHEMBL1521842 0.80 ALDH1A1 (0.70) MAPTALDH1A1SMN1; SMN2SYKMAPK1

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
WO-2009033183-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 WO disclosed
WO-2009033183-A2 COMPOUNDS AND METHODS FOR TREATMENT OF HCV AND CONDITIONS ASSOCIATED WITH CD81 BINDING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2009-03-12 WO disclosed