SCHEMBL11948749

SCHEMBL11948749

COCCN(CCN1C(=O)c2ccccc2C1=O)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2C#N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PABPC1 P11940 1/20 0.34
FTO Q9C0B1 1/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
LMNA P02545 1/20 0.33
AGTR1 P30556 1/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.32
RPS6KA2 Q15349 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
SCHEMBL11948748 0.95 POLB (0.40) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948774 0.92 POLB (0.38) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948805 0.91 POLB (0.38) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948762 0.91 ALDH1A1 (0.40) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948740 0.90 ALDH1A1 (0.43) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948790 0.89 POLB (0.39) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948754 0.87 ALDH1A1 (0.43) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948764 0.86 ALDH1A1 (0.47) ALDH1A1MAPK1NPSR1MEN1KMT2A
SCHEMBL11948747 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1POLBNPSR1MEN1
SCHEMBL11948757 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1POLBNPSR1MEN1

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 6 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-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
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