SCHEMBL5473379

SCHEMBL5473379

CCCCCC(C)c1nc(C(=O)O)c2nnn(C)c(=O)n12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGER2 P43116 1/20 0.30
ACE P12821 2/20 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
SCHEMBL5481149 0.99 GPR84 (0.34) GPR84MEN1PABPC1KMT2ALMNA
SCHEMBL5484884 0.77 AGTR1 (0.36) MEN1PABPC1KMT2ALMNASMN1; SMN2
SCHEMBL5484396 0.75 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL14023219 0.59 CA1 (0.39) GPR84
SCHEMBL25452623 0.57 GPR84 (0.37) GPR84
SCHEMBL24912771 0.57 GPR84 (0.35) GPR84MEN1KMT2ALMNA
SCHEMBL5329219 0.55 GPR84 (0.38) GPR84MEN1KMT2ALMNASMN1; SMN2
SCHEMBL23278619 0.55 GRIA4 (0.45) MEN1PABPC1KMT2A
SCHEMBL24759945 0.54 MEN1 (0.35) GPR84MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6444652 0.54 ALDH1A1 (0.52) GPR84

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