SCHEMBL11948812

SCHEMBL11948812

CCN(c1ccc(/N=N/c2sc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1)C(C)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
RPS6KA2 Q15349 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
AGTR1 P30556 1/20 0.33
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTT P42858 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL11948808 0.85 ALDH1A1 (0.41) KDRRPS6KA2ALDH1A1LMNAAGTR1
SCHEMBL11948809 0.83 ALDH1A1 (0.46) KDRRPS6KA2ALDH1A1LMNAAGTR1
SCHEMBL11948810 0.83 ALDH1A1 (0.50) KDRRPS6KA2ALDH1A1MEN1KMT2A
SCHEMBL11948785 0.82 ALDH1A1 (0.35) KDRRPS6KA2ALDH1A1LMNAAGTR1
SCHEMBL11948780 0.82 ALDH1A1 (0.35) KDRRPS6KA2ALDH1A1LMNAAGTR1
SCHEMBL11948818 0.81 KDR (0.49) KDRALDH1A1LMNAAGTR1POLB
SCHEMBL11948775 0.80 ALDH1A1 (0.34) KDRRPS6KA2ALDH1A1LMNAAGTR1
SCHEMBL11948839 0.79 ALDH1A1 (0.34) KDRRPS6KA2ALDH1A1POLBMEN1
SCHEMBL11948750 0.79 ALDH1A1 (0.36) KDRRPS6KA2ALDH1A1POLBMEN1
SCHEMBL11948819 0.79 ALDH1A1 (0.39) KDRRPS6KA2ALDH1A1LMNAAGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167496-B1 AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2014-09-24 EP disclosed
US-8231691-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2012-07-31 US disclosed
US-20100196676-A1 AZO DYES HUNTSMAN INTERNATIONAL LLC (US) 2010-08-05 US disclosed
WO-2009013122-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2009-01-29 WO disclosed