SCHEMBL27765211

SCHEMBL27765211

CC(C(=O)C(C)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
POLB P06746 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 1/20 0.51
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
TGM2 P21980 4/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL611770 0.87 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27765218 0.82 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL4194105 0.80 MAPT (0.65) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27583941 0.80 SIRT6 (0.60) MAPTPOLBSMN1; SMN2KDM4EMEN1
SCHEMBL2401634 0.80 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL521907 0.79 MAPT (0.72) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1393989 0.79 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1393988 0.79 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27765461 0.79 TRPC6 (0.44) MAPTKDM4EALDH1A1GAAKMT2A
SCHEMBL16625907 0.78 MAPT (0.58) MAPTPOLBSMN1; SMN2RAB9ACHRNB2

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
CN-101594871-B Pyrrolopyrimidine compounds and their uses NOVARTIS AG 2013-06-19 CN disclosed
CN-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN disclosed