SCHEMBL5484430

SCHEMBL5484430

Cc1nc(C(=O)O)c2nnn(C)c(=O)n12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.32
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
HCAR3 P49019 1/20 0.31
NPC1 O15118 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
PTGES O14684 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
SCHEMBL5478609 0.80 MEN1 (0.38) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL5472502 0.77 MEN1 (0.37) MEN1PABPC1KMT2ANPC1CA12
SCHEMBL5473280 0.74 ADORA2A (0.40) MEN1PABPC1KMT2A
SCHEMBL5473765 0.73 AGTR1 (0.36) MEN1PABPC1KMT2A
SCHEMBL5477677 0.72 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL5481771 0.70 MAOA (0.33) MEN1PABPC1KMT2A
SCHEMBL5481143 0.70 MEN1 (0.34) MEN1PABPC1KMT2A
SCHEMBL5481140 0.70 MEN1 (0.32) MEN1PABPC1KMT2A
SCHEMBL892401 0.67 MEN1 (0.77) MEN1PABPC1KMT2AHTTHCAR3
SCHEMBL3700954 0.66 HTT (0.52) MEN1PABPC1KMT2AHTTHCAR3

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