SCHEMBL27680840

SCHEMBL27680840

CCNC(CO)(N[SH](=O)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.46
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HDAC1 Q13547 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 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
SCHEMBL28312942 0.70 KCNN4 (0.57) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL20738658 0.68 KCNN4 (0.55) KCNN4CYP2C19HIF1AHDAC1HDAC3
SCHEMBL2102971 0.67 KCNN4 (0.53) KCNN4LMNAHTTL3MBTL1NR3C2
SCHEMBL8142427 0.65 KCNN4 (0.61) KCNN4LMNAHTTL3MBTL1CYP2C19
SCHEMBL28583517 0.65 HDAC3 (0.41) KCNN4CYP2C19HIF1AHDAC1HDAC3
SCHEMBL27546025 0.65 KCNN4 (0.50) KCNN4LMNAHTTL3MBTL1KMT2A
SCHEMBL11805262 0.64 KCNN4 (0.67) KCNN4CYP2C19HIF1ANR3C2ALDH1A1
SCHEMBL3326124 0.64 KCNN4 (0.67) KCNN4CYP2C19HIF1ANR3C2ALDH1A1
SCHEMBL2490805 0.64 KCNN4 (1.00) KCNN4NR3C2ALDH1A1
SCHEMBL27776663 0.64 KCNN4 (0.59) KCNN4LMNAHTTL3MBTL1CYP2C19

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
CN-101039701-A Prodrugs and codrug comprising a biocleavable disulfide linker NICHOLAS PIRAMAL INDIA LTD (IN) 2007-09-19 CN disclosed