SCHEMBL5478609

SCHEMBL5478609

CCc1nc(C(=O)O)c2nnn(C)c(=O)n12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.35
PTGES O14684 1/20 0.33
KAT2B Q92831 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL5472502 0.88 MEN1 (0.37) MEN1PABPC1KMT2ANPC1PTGES
SCHEMBL5473765 0.84 AGTR1 (0.36) MEN1PABPC1KMT2A
SCHEMBL5476986 0.84 AGTR1 (0.36) MEN1PABPC1KMT2A
SCHEMBL5484396 0.82 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL5477677 0.80 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL5481140 0.80 MEN1 (0.32) MEN1PABPC1KMT2A
SCHEMBL5484430 0.80 MEN1 (0.41) MEN1PABPC1KMT2ANPC1PTGES
SCHEMBL5483586 0.79 MEN1 (0.31) MEN1PABPC1KMT2A
SCHEMBL5481771 0.78 MAOA (0.33) MEN1PABPC1KMT2A
SCHEMBL13524686 0.73 MEN1 (0.46) MEN1PABPC1KMT2ACA12CA1

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-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