SCHEMBL9516620

SCHEMBL9516620

CC(NC(=O)CCSSCCC(=O)NC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.82
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
GPR139 Q6DWJ6 2/20 0.57
ALDH1A1 P00352 4/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PKM P14618 1/20 0.52

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
SCHEMBL4890239 0.89 MAPT (0.79) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL3076773 0.86 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL3069332 0.86 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL692819 0.86 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL6399827 0.86 MAPT (0.75) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL6399316 0.86 MAPT (0.75) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL27892108 0.83 MAPT (0.67) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL23080142 0.83 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL18241727 0.83 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1
SCHEMBL16975095 0.83 MAPT (0.71) MAPTKMT2AMEN1GPR139ALDH1A1

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-0410726-B1 S-SUBSTITUTED BETA-THIOACRYLAMIDES AND THEIR USE AS MICROBICIDES ROHM AND HAAS COMPANY (US) 1993-09-01 EP disclosed
US-5151447-A Bactericides and fungicides ROHM AND HAAS COMPANY (US) 1992-09-29 US disclosed
US-5023275-A S-substituted beta-thioacrylamide biocides and fungicides ROHM AND HAAS COMPANY (US) 1991-06-11 US disclosed
EP-0410726-A1 S-substituted beta-thioacrylamides and their use as microbicides ROHM AND HAAS COMPANY (US) 1991-01-30 EP disclosed