SCHEMBL8986629

SCHEMBL8986629

NNC(=S)OCc1ccccc1.NNC(O)=S

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
GAA P10253 2/20 0.46
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 1/20 0.42
AGXT P21549 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2240540 0.96 CA12 (0.55) CA12CA1CA2CA9GAA
SCHEMBL28501479 0.89 CA12 (0.49) CA12CA1CA2CA9GAA
SCHEMBL9625484 0.82 KMT2A (0.41) CA12CA1CA2CA9GAA
SCHEMBL11557089 0.82 ALDH1A1 (0.49) CA1CA2ALDH1A1TDP1IDO1
SCHEMBL3068669 0.81 CA12 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL3072835 0.80 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL28465121 0.80 CA12 (0.50) CA12CA1CA2CA9GAA
SCHEMBL7810380 0.78 ALDH1A1 (0.46) CA12CA1CA2CA9GAA
SCHEMBL8986688 0.76 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL3068672 0.76 ALDH1A1 (0.55) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0602589-B1 Processes for preparation of 5-pyrazolemercaptan derivatives and intermediates thereof LUCKY LTD (KR) 1996-06-26 EP disclosed
US-5468896-A Chemical intermediates for herbicides LUCKY LTD. (KR) 1995-11-21 US disclosed
US-5466854-A From alkyl hydrazine and carbon disulfide LUCKY LTD. (KR) 1995-11-14 US disclosed
US-5416220-A From a dithiocabazate and an ethoxymethylene malonate LUCKY, LTD. (KR) 1995-05-16 US disclosed
US-5405965-A Heating ethylidene dithiocarbazate compound with base LUCKY LTD. (KR) 1995-04-11 US disclosed
EP-0602589-A1 Processes for preparation of 5-pyrazolemercaptan derivatives and intermediates thereof LUCKY LTD. (KR) 1994-06-22 EP disclosed
US-5162539-A Reaction of a carboxylic acid with a dithiocarbazic ester in the presence of phosphoryl chloride BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed