SCHEMBL4700260

SCHEMBL4700260

OCCNC(=S)N[C@H]1CCc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
EPHX2 P34913 4/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
BCHE P06276 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR6 P50406 1/20 0.48
PDPK1 O15530 1/20 0.47
PTPN7 P35236 1/20 0.46
ALPL P05186 1/20 0.46
ALPI P09923 1/20 0.46
DHODH Q02127 1/20 0.45

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
SCHEMBL3219943 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL3210483 0.93 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL14434582 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL4704620 0.84 MEN1 (0.55) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL15398282 0.82 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL3209919 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARECQLMAPT
SCHEMBL14040822 0.80 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARECQLMAPT
SCHEMBL455875 0.79 MEN1 (0.54) ALDH1A1MEN1KMT2AEPHX2RECQL
SCHEMBL11746751 0.79 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ARECQLHTT
SCHEMBL1999695 0.79 KMT2A (0.46) ALDH1A1MEN1KMT2AMAPTADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1977646-A1 Insecticidal hydroxyethyl thlourea derivatives Bayer CropScience AG (DE) 2008-10-08 EP disclosed