SCHEMBL3246325

SCHEMBL3246325

N/C=C\C(=O)c1cccs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
TP53 P04637 7/20 0.62
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
MAPK1 P28482 4/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 6/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
ALDH1A1 P00352 8/20 0.59
CYP3A4 P08684 3/20 0.59
GAA P10253 3/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 1/20 0.59
RAF1 P04049 1/20 0.57

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
SCHEMBL3246328 1.00 MAPT (0.62) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL6994738 0.89 MAPT (0.69) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL6994743 0.89 MAPT (0.69) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL11601466 0.83 MAPT (0.62) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL11329160 0.82 MAPT (0.66) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL11246434 0.82 MAPT (0.66) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL4482364 0.82 MAPT (0.61) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL9049329 0.82 MAPT (0.61) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL9049322 0.82 MAPT (0.61) MAPTTP53KMT2AMEN1MAPK1
SCHEMBL3271527 0.81 GPR52 (0.60) MAPTTP53KMT2AMEN1MAPK1

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
EP-1541569-B1 PROCESS FOR PRODUCING N-MONOALKYL-3-HYDROXY-3-(2-THIENYL)PROPANAMINE AND INTERMEDIATE SUMITOMO SEIKA CHEMICALS (JP) 2010-05-12 EP disclosed