SCHEMBL5481149

SCHEMBL5481149

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACE P12821 3/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
ACE2 Q9BYF1 1/20 0.31
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER2 P43116 1/20 0.30
LCK P06239 1/20 0.30
PPARD Q03181 1/20 0.30
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL5473379 0.99 GPR84 (0.33) GPR84LMNASMN1; SMN2ACEMEN1
SCHEMBL5484396 0.74 MEN1 (0.33) MEN1PABPC1KMT2A
SCHEMBL14023219 0.61 CA1 (0.39) GPR84ACE2FFAR1
SCHEMBL25452623 0.59 GPR84 (0.37) GPR84ACE2FFAR1MAPTALDH1A1
SCHEMBL25452695 0.58 PTPN1 (0.42) MAPTALDH1A1
SCHEMBL5329219 0.57 GPR84 (0.38) GPR84LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6444652 0.57 ALDH1A1 (0.52) GPR84ACE2FFAR1MAPTALDH1A1
Bicarbonate SCHEMBL7175377 0.55 GPR84 (0.58) GPR84ACE2FFAR1MAPTALDH1A1
Bicarbonate SCHEMBL6439327 0.55 ACE2 (0.76) GPR84ACE2FFAR1MAPTALDH1A1
Bicarbonate SCHEMBL1098227 0.55 GPR84 (0.58) GPR84ACE2FFAR1MAPTALDH1A1

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