SCHEMBL11660412

SCHEMBL11660412

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
TSHR P16473 1/20 0.49
VCAM1 P19320 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE7A Q13946 6/20 0.42
PDE7B Q9NP56 4/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KIF18A Q8NI77 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
BACE1 P56817 1/20 0.40
SOS1 Q07889 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11621808 1.00 MAPK1 (0.49) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL11741510 0.88 MAPK1 (0.57) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL11741496 0.88 MAPK1 (0.57) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL4658918 0.87 MAPK1 (0.53) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL29708112 0.82 MAPK1 (0.55) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL203086 0.82 MAPK1 (0.55) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL10796835 0.81 VCAM1 (0.51) MAPK1TSHRVCAM1L3MBTL1ALDH1A1
SCHEMBL11746111 0.80 MAPT (0.53) MAPK1TSHRVCAM1L3MBTL1PDE7A
SCHEMBL11746100 0.80 MAPT (0.53) MAPK1TSHRVCAM1L3MBTL1PDE7A
SCHEMBL11618923 0.80 TSHR (0.55) MAPK1TSHRALDH1A1SOS1LMNA

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-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 US disclosed