SCHEMBL8933462

SCHEMBL8933462

CCOc1cc(C=C2SC(=S)N(N(C)C)C2=O)cc(-c2sccc2C)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
MAPT P10636 10/20 0.43
KMT2A Q03164 12/20 0.43
MEN1 O00255 11/20 0.43
POLB P06746 6/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 6/20 0.42
RECQL P46063 4/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 5/20 0.41
ALPI P09923 1/20 0.41
PSMD14 O00487 2/20 0.41
MMP2 P08253 1/20 0.41
KDM4E B2RXH2 2/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL8310606 0.88 MAPT (0.56) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8537294 0.81 IGF1R (0.38) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8307820 0.80 DYRK1A (0.61) MAPTKMT2AMEN1POLBGAA
SCHEMBL8933459 0.80 KMT2A (0.46) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8991958 0.80 KMT2A (0.46) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8986231 0.80 KMT2A (0.46) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8933494 0.78 IGF1R (0.40) FABP4MAPTKMT2AMEN1ALDH1A1
SCHEMBL8532185 0.78 MEN1 (0.66) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8532182 0.78 MEN1 (0.66) FABP4MAPTKMT2AMEN1POLB
SCHEMBL8933559 0.75 IGF1R (0.45) MAPTKMT2AMEN1POLBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed