SCHEMBL8630935

SCHEMBL8630935

COC(=O)c1cnn(C)c1SCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL10719117 0.87 ALDH1A1 (0.55) PKMALDH1A1GAAMAPTHPGD
SCHEMBL3176170 0.86 PKM (0.50) PKML3MBTL1ALDH1A1GAAMAPT
SCHEMBL3165756 0.84 GAA (0.46) PKML3MBTL1ALDH1A1GAAMAPT
SCHEMBL9821613 0.80 PKM (0.59) PKML3MBTL1ALDH1A1TDP1HPGD
SCHEMBL8795182 0.80 MAPT (0.44) PKML3MBTL1ALDH1A1GAAMAPT
SCHEMBL3174687 0.78 GAA (0.39) PKML3MBTL1ALDH1A1GAAMAPT
SCHEMBL18209747 0.77 GAA (0.47) PKML3MBTL1ALDH1A1GAAMAPT
SCHEMBL4022555 0.76 MAPK1 (0.45) ALDH1A1MAPTHPGDTSHRSMN1; SMN2
SCHEMBL4022539 0.76 MEN1 (0.41) PKMALDH1A1GAAMAPTHPGD
SCHEMBL18209784 0.75 MAPT (0.45) PKML3MBTL1ALDH1A1GAAMAPT

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
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed