SCHEMBL3077511

SCHEMBL3077511

CC(C)(C)c1c(C(N)=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MITF O75030 1/20 0.51
CCR6 P51684 1/20 0.51
CYP3A4 P08684 3/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
HPGD P15428 2/20 0.46
GALR3 O60755 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR35 Q9HC97 4/20 0.42
PMP22 Q01453 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 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
SCHEMBL13616905 0.86 CA1 (0.49) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL3071646 0.85 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL4926322 0.81 KMT2A (0.52) ALDH1A1SMN1; SMN2HTTMAPTCYP3A4
Dinitolmide SCHEMBL43712 0.79 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2HTTMAPT
Dinitolmide SCHEMBL29360311 0.79 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL29711645 0.77 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL11222215 0.77 SMN1; SMN2 (0.52) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL13617326 0.77 GPR35 (0.59) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL3686974 0.77 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL28352192 0.76 ALDH1A1 (0.68) ALDH1A1LMNASMN1; SMN2HTTMAPT

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