SCHEMBL9042136

SCHEMBL9042136

CCOC(=O)c1c(-c2ccccc2Cl)c2cc(CC)sc2n(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 2/20 0.46
PABPC1 P11940 1/20 0.46
GRM6 O15303 1/20 0.46
ALOX5 P09917 3/20 0.45
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 3/20 0.41
HTT P42858 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
LMNA P02545 3/20 0.40
GAA P10253 2/20 0.40
TDP2 O95551 1/20 0.39

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
SCHEMBL9042015 0.80 MAPT (0.50) MEN1KMT2APOLBGRM6ALOX5
SCHEMBL9359243 0.80 ALDH1A1 (0.53) MEN1KMT2APOLBPABPC1GRM6
SCHEMBL8786825 0.79 MEN1 (0.54) MEN1KMT2APOLBPABPC1GRM6
SCHEMBL8784656 0.78 ALDH1A1 (0.54) MEN1KMT2APOLBPABPC1GRM6
SCHEMBL6636712 0.76 MEN1 (0.50) MEN1KMT2APOLBPABPC1GRM6
SCHEMBL9358921 0.75 POLB (0.53) MEN1KMT2APOLBPABPC1GRM6
SCHEMBL9358956 0.72 MEN1 (0.53) MEN1KMT2APOLBPABPC1ALOX5
SCHEMBL9359224 0.70 ALDH1A1 (0.54) MEN1KMT2APOLBPABPC1ALOX5
SCHEMBL11858755 0.70 HPGD (0.44) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9149221 0.70 ALOX5 (0.53) MEN1KMT2APOLBGRM6ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472116-B1 Thienopyridine Derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-01-31 EP disclosed
US-5256782-A For anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
US-5143919-A Acyl-CoA:cholesterol acyltransferase inhibitors; anticholesterol agents; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-09-01 US disclosed
EP-0472116-A1 Thienopyridine Derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-02-26 EP disclosed