SCHEMBL11948840

SCHEMBL11948840

CCN(CCCN1C(=O)c2ccccc2C1=O)c1ccc(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)c(NC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
RECQL P46063 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 3/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11948799 0.96 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948792 0.96 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948804 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948789 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948798 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948787 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948745 0.89 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948803 0.89 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948768 0.88 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AUSP2HPGD
SCHEMBL11948784 0.88 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AUSP2HPGD

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