SCHEMBL9030397

SCHEMBL9030397

CCOC1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccc(OC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KCNA5 P22460 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL9032752 0.96 MEN1 (0.57) MEN1KMT2AKCNA5ALDH1A1GFER
SCHEMBL9031331 0.92 KMT2A (0.44) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL9030823 0.90 MEN1 (0.41) MEN1KMT2AKCNA5ALDH1A1POLB
SCHEMBL9032822 0.90 MEN1 (0.51) MEN1KMT2APOLBGAATDP1
SCHEMBL9032560 0.88 MEN1 (0.47) MEN1KMT2AGAATDP1
SCHEMBL9032170 0.88 MEN1 (0.46) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL9031546 0.85 MEN1 (0.54) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL9033172 0.85 POLB (0.53) MEN1KMT2AALDH1A1POLB
SCHEMBL9031081 0.83 MEN1 (0.43) MEN1KMT2APOLBGAATDP1
SCHEMBL9032250 0.83 KMT2A (0.42) MEN1KMT2AALDH1A1POLBGAA

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
EP-0415166-B1 Process for the preparation of cyanohydantoines MERCK PATENT GMBH (DE) 1996-11-20 EP disclosed
EP-0415166-A2 Process for the preparation of cyanohydantoines MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed