SCHEMBL28194366

SCHEMBL28194366

O=C(NCS(=O)(=O)Oc1ccccc1)c1ccccc1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
HPGD P15428 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.50
GAA P10253 1/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MMP1 P03956 1/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL7129375 0.75 MAPT (0.68) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27397738 0.75 MEN1 (0.64) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11343355 0.74 MAPT (0.66) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11084341 0.74 MAPT (0.66) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL1018418 0.74 MAPT (0.66) MAPTHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL27029813 0.73 MEN1 (0.66) HPGDSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL11208230 0.73 MAPT (1.00) MAPTHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL6664422 0.73 KMT2A (0.52) MAPTHPGDSMN1; SMN2ALDH1A1TDP1
SCHEMBL29289426 0.72 KMT2A (0.55) SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL27952719 0.71 TDP1 (0.52) HPGDSMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107617393-A A kind of phosgene reactor for carbon tetrachloride processing equipment 徐州工程学院 2018-01-23 CN claimed
CN-107617393-A A kind of phosgene reactor for carbon tetrachloride processing equipment 徐州工程学院 2018-01-23 CN disclosed