SCHEMBL11948818

SCHEMBL11948818

Cc1cc(N(C)CCCN2C(=O)c3ccccc3C2=O)ccc1/N=N/c1sc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
ALDH1A1 P00352 8/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
PABPC1 P11940 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
CCR6 P51684 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.37
MAOB P27338 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
FTO Q9C0B1 1/20 0.35
CYP2D6 P10635 1/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL11948809 0.90 ALDH1A1 (0.46) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948810 0.88 ALDH1A1 (0.50) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948808 0.86 ALDH1A1 (0.41) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948819 0.84 ALDH1A1 (0.39) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948795 0.81 ALDH1A1 (0.44) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948812 0.81 KDR (0.40) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948786 0.81 ALDH1A1 (0.44) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948837 0.79 KDR (0.42) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948772 0.79 ALDH1A1 (0.41) KDRALDH1A1NPSR1MEN1KMT2A
SCHEMBL11948760 0.78 ALDH1A1 (0.43) KDRALDH1A1NPSR1MEN1KMT2A

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
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