SCHEMBL5483586

SCHEMBL5483586

CCCC(C)CCCc1nc(C(=O)O)c2nnn(C)c(=O)n12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
PABPC1 P11940 1/20 0.31
KMT2A Q03164 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
SCHEMBL5484396 0.94 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL5477674 0.89 MEN1 (0.31) MEN1PABPC1KMT2A
SCHEMBL5487953 0.85 MEN1 (0.32) MEN1PABPC1KMT2A
SCHEMBL5484884 0.84 AGTR1 (0.36) MEN1PABPC1KMT2A
SCHEMBL5482248 0.84 ACE2 (0.33) MEN1PABPC1KMT2A
SCHEMBL5473379 0.74 GPR84 (0.33) MEN1PABPC1KMT2A
SCHEMBL5485623 0.74 MEN1 (0.36) MEN1PABPC1KMT2A
SCHEMBL5481149 0.74 GPR84 (0.34) MEN1PABPC1KMT2A
SCHEMBL3860588 0.65 MEN1 (0.51) MEN1PABPC1KMT2A
SCHEMBL13548350 0.57 RARB (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798234-A1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER Tianjin Tasly Group Co., Ltd. (CN) 2007-06-20 EP claimed
EP-1798234-B1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER TIANJIN TASLY GROUP CO LTD (CN) 2012-06-13 EP disclosed
EP-1798234-A1 PHARMACEUTICAL COMPOSITION COMPRISING TEMOZOLOMIDE ESTER Tianjin Tasly Group Co., Ltd. (CN) 2007-06-20 EP disclosed