SCHEMBL27701775

SCHEMBL27701775

CC(C)(C)C(=O)ON1CCN(c2ccc([N+](=O)[O-])nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.48
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TGM2 P21980 3/20 0.39
GPR119 Q8TDV5 1/20 0.39
MET P08581 1/20 0.36

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
SCHEMBL27960294 0.83 MAPT (0.43) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27844198 0.83 MAPT (0.53) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL1648849 0.81 MAPT (0.60) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27714032 0.81 MAPT (0.64) MAPTPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL1392727 0.81 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL29435691 0.81 MAPT (0.68) MAPTPOLBSMN1; SMN2RAB9AALDH1A1
SCHEMBL4696975 0.81 MAPT (0.67) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL17523344 0.81 MAPT (0.62) MAPTPOLBSMN1; SMN2RAB9ACHRNB2
SCHEMBL27722335 0.80 TRPC6 (0.44) MAPTSMN1; SMN2GPR119
SCHEMBL27821264 0.80 CHRNB2 (0.48) MAPTSMN1; SMN2CHRNB2CHRNA4ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102186856-B Pyrrolopyrimidines as CDK inhibitors NOVARTIS AG 2014-09-24 CN disclosed
CN-102369187-B N- (hetero) aryl, 2- (hetero) aryl substituted acetamides as WNT signal modulators IRM LLC 2014-06-04 CN disclosed
CN-103788100-A Pyrrolopyrimidine compounds as CDK inhibitors NOVARTIS AG 2014-05-14 CN disclosed
CN-103415516-A Bicyclic inhibitors of ALK ABBOTT LAB 2013-11-27 CN disclosed
CN-102186856-A Pyrrolopyrimidines as CDK inhibitors NOVARTIS AG 2011-09-14 CN disclosed
CN-101356159-A Substituted isoquinoline-1, 3(2H,4H) -diones, 1-thio-1, 4-dihydro-2H-isoquinoline-3-ones and 1, 4-dihydro-3 (2H) -isoquinolones and their use as kinase inhibitors WYETH CORP (US) 2009-01-28 CN disclosed
CN-101163694-A Imidaz0l0-5-yl-2-anil0-pyrimidines as agents for the inhibition of cell proliferation ASTRAZENECA AB ASTRAZENECA UK (SE) 2008-04-16 CN disclosed