SCHEMBL10984052

SCHEMBL10984052

CCCCCCCCNC(=S)NN

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.50
EPHX2 P34913 1/20 0.47
CASP2 P42575 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
NAAA Q02083 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
SCHEMBL10488553 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL11785337 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL11791088 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL5425987 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL11784133 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL10980778 1.00 EPHX1 (0.50) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL4051612 0.98 EPHX1 (0.46) EPHX1EPHX2CASP2KDM4EMEN1
SCHEMBL454450 0.91
SCHEMBL10113928 0.89 GAA (0.47) EPHX2KDM4EKMT2A
SCHEMBL8979287 0.86 EPHX1 (0.58) EPHX1EPHX2CASP2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4492793-A Process for the production of 2-amino-5-mercapto-1,3,4-thiadiazole DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-01-08 US disclosed