SCHEMBL6965128

SCHEMBL6965128

COC(=O)C([S])c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
MEN1 O00255 2/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.44
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DHFR P00374 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
SCHEMBL6965592 0.80 MMP8 (0.56) KMT2AMEN1LMNATSHRSLC6A3
SCHEMBL3598733 0.78 KMT2A (0.69) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL1578804 0.78 KMT2A (0.69) KMT2APTGS1PTGS2ALDH1A1LMNA
Mandelic Acid, Methyl Ester SCHEMBL28228867 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL5544986 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
Ammonia Solution, Strong SCHEMBL27830689 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL6003332 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL5537242 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
SCHEMBL183940 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1
Mandelic Acid, Methyl Ester SCHEMBL186900 0.77 KMT2A (0.67) KMT2AMEN1PTGS1PTGS2ALDH1A1

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6444616-B1 HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-03 US disclosed
US-6130225-A Substituted p-trifluoromethylphenyluracils BAYER AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed