SCHEMBL8986231

SCHEMBL8986231

CCOc1cc(/C=C2/SC(=S)N(N(C)C)C2=O)cc(-c2ccccc2SC)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.46
MEN1 O00255 10/20 0.46
POLB P06746 6/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 9/20 0.45
ALDH1A1 P00352 5/20 0.45
THRB P10828 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 3/20 0.45
ALPI P09923 1/20 0.45
FABP4 P15090 1/20 0.44
OPRK1 P41145 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL8933459 1.00 KMT2A (0.46) KMT2AMEN1POLBGAAMAPT
SCHEMBL8991958 1.00 KMT2A (0.46) KMT2AMEN1POLBGAAMAPT
SCHEMBL8310599 0.89 MAPT (0.56) KMT2AMEN1POLBGAAMAPT
SCHEMBL8310604 0.89 MAPT (0.56) KMT2AMEN1POLBGAAMAPT
SCHEMBL8309496 0.85 FABP4 (0.55) KMT2AMEN1POLBGAAMAPT
SCHEMBL8537293 0.82 GAA (0.38) KMT2AMEN1POLBGAAMAPT
SCHEMBL8535804 0.82 GAA (0.38) KMT2AMEN1POLBGAAMAPT
SCHEMBL8537292 0.82 GAA (0.38) KMT2AMEN1POLBGAAMAPT
SCHEMBL8307815 0.81 DYRK1A (0.61) KMT2AMEN1POLBGAAMAPT
SCHEMBL8307819 0.81 DYRK1A (0.61) KMT2AMEN1POLBGAAMAPT

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-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed