SCHEMBL7720239

SCHEMBL7720239

Cc1cc(C)cc(NC(O)=S)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL15484245 0.82 MAPT (0.75) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL15478107 0.80 GAA (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL1881297 0.78 CYP1A2 (0.64) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL27788948 0.78 GAA (0.57) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL2865596 0.78 CYP1A2 (0.69) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL93283 0.77 NPSR1 (0.55) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28271222 0.76 MAPT (0.67) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28299815 0.76 ALDH1A1 (0.68) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL7213273 0.75 NPC1 (0.61) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL27834667 0.75 MAPT (1.00) MAPTGAAALDH1A1MEN1KMT2A

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
CN-105026367-B Method for producing isothiocyanate 旭化成株式会社 2019-05-21 CN disclosed
CN-108976155-A The manufacturing method of isothiocyanates 旭化成株式会社 2018-12-11 CN disclosed
CN-105026367-A Method for producing isothiocyanate, composition for transporting and storing N-substituted-O-substituted thiocarbamate, and isothiocyanate composition ASAHI KASEI CHEMICALS CORP 2015-11-04 CN disclosed
US-6391862-B1 CYCLODEXTRIN THE TEXAS A&M UNIVERSITY SYSTEM 2002-05-21 US disclosed