SCHEMBL11516745

SCHEMBL11516745

O=[N+]([O-])c1ccc(Cl)cc1-c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.69
TSHR P16473 1/20 0.69
VCAM1 P19320 1/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 6/20 0.51
PDE7A Q13946 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.47
PDE7B Q9NP56 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MITF O75030 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9732213 0.92 MAPK1 (0.66) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL25561346 0.89 MAPK1 (0.56) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL27735807 0.87 MAPK1 (0.59) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL9261807 0.85 ALDH1A1 (0.61) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL2501193 0.84 MAPK1 (0.56) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL27735806 0.84 MAPK1 (0.51) MAPK1TSHRVCAM1POLBLMNA
SCHEMBL26191612 0.84 ALDH1A1 (0.61) MAPK1TSHRLMNAALDH1A1PDE7A
SCHEMBL5415102 0.84 PDE7A (0.58) MAPK1TSHRALDH1A1PDE7AL3MBTL1
SCHEMBL19997893 0.84 ALDH1A1 (0.61) MAPK1TSHRLMNAALDH1A1PDE7A
SCHEMBL1524058 0.84 MAPK1 (0.72) MAPK1TSHRVCAM1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4139530-A CATIONIC DYES BAYER AKTIENGESELLSCHAFT (DE) 1979-02-13 US disclosed