SCHEMBL6565177

SCHEMBL6565177

CCN(C(C)C)C(C)C.NC(O)=S.NC(O)=S

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP2E1 P05181 1/20 0.31
PTGS1 P23219 1/20 0.31
HTT P42858 1/20 0.31
GSDMD P57764 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31

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
Thiourea SCHEMBL22492307 0.92 TSHR (0.33) MEN1KMT2AABCB11CYP2E1PTGS1
SCHEMBL6565171 0.87 ABCB11 (0.40) ABCB11CYP2E1PTGS1HTTGSDMD
Carbamic Acid SCHEMBL28872525 0.84 ACHE (0.37)
Methyl Alcohol SCHEMBL2652388 0.80 MEN1 (0.38) MEN1KMT2A
SCHEMBL5544690 0.80 MEN1 (0.42) MEN1KMT2A
SCHEMBL7097725 0.80
SCHEMBL1746 0.80
Bicarbonate SCHEMBL27506741 0.78 FFAR3 (0.35) MEN1KMT2A
Ethylamine SCHEMBL8329983 0.77 MEN1 (0.36) MEN1KMT2A
Isopropylamine SCHEMBL28909420 0.77 MEN1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377546-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES Dow AgroSciences LLC (US) 2004-01-07 EP claimed
WO-2002081438-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES DOW AGROSCIENCES LCC (US) 2002-10-17 WO claimed
WO-1998037074-A1 PROCESS FOR PREPARATION OF 2-MERCAPTOTHIAZOLE ZENECA LIMITED (GB) 1998-08-27 WO claimed
EP-1377546-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES Dow AgroSciences LLC (US) 2004-01-07 EP disclosed
WO-2002081438-A2 PROCESS FOR PRODUCING THIOSEMICARBAZIDES DOW AGROSCIENCES LCC (US) 2002-10-17 WO disclosed
WO-1998037074-A1 PROCESS FOR PREPARATION OF 2-MERCAPTOTHIAZOLE ZENECA LIMITED (GB) 1998-08-27 WO disclosed