SCHEMBL11520066

SCHEMBL11520066

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ VCAM1 P19320 1/20 0.55
▸ ALDH1A1 P00352 4/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ PDE7A Q13946 8/20 0.49
▸ PDE7B Q9NP56 4/20 0.49
▸ KIF18A Q8NI77 1/20 0.47
▸ PDE4B Q07343 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1524058 0.80 MAPK1 (0.72) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL305611 0.79 MAPK1 (0.62) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL6125034 0.78 MAPK1 (0.63) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL29394047 0.78 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL358730 0.78 MAPK1 (0.69) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL11496559 0.78 TSHR (0.41) MAPK1TSHRALDH1A1L3MBTL1LMNA
SCHEMBL27329814 0.78 MAPK1 (0.60) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL306375 0.77 ALDH1A1 (0.64) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL2149474 0.77 MAPK1 (0.61) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL4259186 0.77 ALDH1A1 (0.64) MAPK1TSHRALDH1A1LMNANPSR1

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
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