SCHEMBL5484884

SCHEMBL5484884

CCCCCCc1nc(C(=O)O)c2nnn(C)c(=O)n12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
MEN1 O00255 1/20 0.34
PABPC1 P11940 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 2/20 0.33
ATM Q13315 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL6277003 0.67 AGTR1 (0.40) AGTR1AGTR2PPARGHCAR2
SCHEMBL5701035 0.64 HCAR2 (0.44) MEN1KMT2ATSHRPPARGALDH1A1
SCHEMBL7512352 0.62 KDM4C (0.47) LMNATSHRALDH1A1
SCHEMBL4409273 0.61 ALDH1A1 (0.40) LMNATSHRATMALDH1A1SMN1; SMN2
SCHEMBL20963387 0.61 ALDH1A1 (0.40) LMNATSHRATMALDH1A1SMN1; SMN2
SCHEMBL7764122 0.60 HCAR3 (0.48) HAO1
SCHEMBL11802408 0.60 KDM4C (0.48) ATMALDH1A1SMN1; SMN2
SCHEMBL20503261 0.59 KDM4E (0.45) HCAR2
SCHEMBL4407084 0.59 ALDH1A1 (0.41) LMNATSHRATMALDH1A1SMN1; SMN2
Bromide SCHEMBL27698944 0.58 DAGLA (0.46) LMNATSHRATMALDH1A1SMN1; SMN2

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