SCHEMBL27700415

SCHEMBL27700415

CC(C)N(CCNC(N)=S)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
CA12 O43570 4/20 0.33
CA9 Q16790 2/20 0.33
IDO1 P14902 1/20 0.32
KDM5B Q9UGL1 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
SCHEMBL6560529 0.78 ACHE (0.42) ALDH1A1TSHRKMT2AMEN1SIGMAR1
SCHEMBL10310212 0.78 MEN1 (0.36) ALDH1A1TSHRKMT2AMEN1SIGMAR1
SCHEMBL4519678 0.75
SCHEMBL30602822 0.74 CA1 (0.54) ALDH1A1TSHRKMT2AMEN1CA1
SCHEMBL13298011 0.73 ACHE (0.44) ALDH1A1KMT2AMEN1SIGMAR1BCHE
Hydrochloric Acid SCHEMBL6996462 0.73 CA1 (0.56) ALDH1A1TSHRKMT2ACA1CA2
SCHEMBL10288810 0.72 MEN1 (0.52) ALDH1A1KMT2AMEN1SIGMAR1BCHE
SCHEMBL25230992 0.71 SIGMAR1 (0.46) ALDH1A1KMT2AMEN1SIGMAR1BCHE
SCHEMBL5258395 0.71 KDM4E (0.46) ALDH1A1TSHRKMT2AMEN1SIGMAR1
SCHEMBL10942900 0.71 KMT2A (0.45) ALDH1A1TSHRKMT2AMEN1ACHE

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-101045732-A Cefosulfoether double salt preparation method and application LUOAN MEDICINE TECHNOLOGY CO L (CN) 2007-10-03 CN disclosed
CN-101037443-A Cephathiamidine, inorganic acid, organic acid salt, preparation method and application thereof SHANGHAI LUOAN MEDICAL TECHNOL (CN) 2007-09-19 CN disclosed