SCHEMBL2586777

SCHEMBL2586777

CN1C(=O)CSC1=Nc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GFER P55789 1/20 0.47
TP53 P04637 1/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 1/20 0.44
CA9 Q16790 2/20 0.41
MGAM O43451 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL2586772 1.00 KMT2A (0.53) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2587982 0.85 MEN1 (0.55) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2587984 0.85 MEN1 (0.55) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL4056949 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL4056952 0.84 MEN1 (0.53) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2589796 0.83 MEN1 (0.68) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2589792 0.83 MEN1 (0.68) KMT2AMEN1ALDH1A1TSHRGAA
Bromide SCHEMBL11277318 0.82 MEN1 (0.66) KMT2AMEN1ALDH1A1TSHRGAA
Bromide SCHEMBL11180829 0.82 MEN1 (0.66) KMT2AMEN1ALDH1A1TSHRGAA
SCHEMBL2595128 0.80 MEN1 (0.71) KMT2AMEN1ALDH1A1TSHRGAA

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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed