SCHEMBL3072804

SCHEMBL3072804

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 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
SCHEMBL689307 0.86 HDAC3 (0.58) SMN1; SMN2ALDH1A1MAPTRAB9AL3MBTL1
SCHEMBL3071640 0.84 SMN1; SMN2 (0.61) HTTSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL3072808 0.80 SMN1; SMN2 (0.80) HTTSMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL3072799 0.78 SMN1; SMN2 (0.56) HTTSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL11525250 0.77 HTT (0.57) HTTSMN1; SMN2ALDH1A1MAPTALOX5
SCHEMBL3079822 0.77 CNR1 (0.38) ALDH1A1
SCHEMBL13139938 0.77 SMN1; SMN2 (0.85) HTTSMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL9733961 0.76 PKM (0.64) HTTALDH1A1MAPTL3MBTL1HDAC3
SCHEMBL9734781 0.76 PKM (0.64) HTTALDH1A1MAPTL3MBTL1HDAC3
SCHEMBL9734576 0.76 PKM (0.64) HTTALDH1A1MAPTL3MBTL1HDAC3

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