SCHEMBL3065489

SCHEMBL3065489

CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HTT P42858 3/20 0.59
GAA P10253 1/20 0.59
THRB P10828 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.42
P2RX1 P51575 1/20 0.42
ACP1 P24666 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 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
SCHEMBL3088486 0.83 MEN1 (0.60) ALDH1A1HTTGAAL3MBTL1MEN1
SCHEMBL1948564 0.81 CNR2 (0.50) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL1948064 0.76 L3MBTL1 (0.55) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL1950254 0.76 L3MBTL1 (0.55) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL6262245 0.76 MEN1 (0.49) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL7335938 0.74 SMN1; SMN2 (0.69) ALDH1A1HTTGAAMEN1KMT2A
SCHEMBL12226380 0.74 L3MBTL1 (0.61) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL23160973 0.73 HTT (0.47) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL3071631 0.73 CNR2 (0.47) ALDH1A1HTTGAATHRBL3MBTL1
SCHEMBL11640367 0.73 CYP1A2 (0.59) ALDH1A1HTTGAAL3MBTL1MEN1

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