SCHEMBL3072808

SCHEMBL3072808

CC(C)(C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.80
HTT P42858 2/20 0.80
POLB P06746 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 3/20 0.47
ALOX5 P09917 3/20 0.47
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 1/20 0.45
RAB9A P51151 1/20 0.44

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
SCHEMBL13139938 0.97 SMN1; SMN2 (0.85) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL3071640 0.86 SMN1; SMN2 (0.61) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL689308 0.85 SMN1; SMN2 (0.64) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL3072799 0.82 SMN1; SMN2 (0.56) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL2916981 0.82 POLB (0.70) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL3072804 0.80 HTT (0.55) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL13139937 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL11527172 0.78 HTT (0.60) SMN1; SMN2HTTMEN1KMT2AMAPT
SCHEMBL29727685 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HTTPOLBMEN1KMT2A
SCHEMBL18496587 0.77 HTT (0.55) SMN1; SMN2HTTMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592738-B1 RESIN COMPOSITIONS CIBA HOLDING INC (CH) 2020-07-29 EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 US disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 US disclosed
EP-1592738-A2 RESIN COMPOSITIONS Ciba SC Holding AG (CH) 2005-11-09 EP disclosed
WO-2004072168-A2 RESIN COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-08-26 WO disclosed