SCHEMBL4022730

SCHEMBL4022730

COc1cc(C(=O)O)c(Cl)cc1[N+](=O)[O-].COc1cc(C)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TTR P02766 1/20 0.41
HTT P42858 2/20 0.41
S1PR4 O95977 1/20 0.41
OPRK1 P41145 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL358305 0.93 PKM (0.54) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL1784674 0.87 LMNA (0.53) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL29739541 0.87 ALDH1A1 (0.49) LMNAMAPTALDH1A1TSHRRAB9A
SCHEMBL359390 0.87 ALDH1A1 (0.49) LMNAMAPTALDH1A1TSHRRAB9A
Hydrochloric Acid SCHEMBL11778515 0.86 LMNA (0.52) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL30180164 0.83 PKM (0.55) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL10341213 0.83 PKM (0.55) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL14993397 0.83 PKM (0.51) LMNAPKMMAPTALDH1A1TSHR
SCHEMBL8526398 0.81 TSHR (0.53) LMNAMAPTALDH1A1TSHRRAB9A
SCHEMBL3122999 0.81 RAB9A (0.50) LMNAMAPTALDH1A1RAB9ANPC1

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-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed