SCHEMBL8448271

SCHEMBL8448271

CC(O)Sc1cc(N)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ TSHR P16473 4/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ PDE7A Q13946 7/20 0.44
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ PDE7B Q9NP56 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL11413362 0.87 TSHR (0.53) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL11202237 0.80 PDE7A (0.49) HSD17B10L3MBTL1TDP1ALDH1A1PDE7A
SCHEMBL8446725 0.78 TSHR (0.58) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL17498318 0.78 TDP1 (0.62) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL11432656 0.78 ALDH1A1 (0.54) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL18814844 0.77 TSHR (0.49) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL8444659 0.76 HTT (0.53) ALOX15MAPK1L3MBTL1TSHRTDP1
SCHEMBL9815413 0.76 TSHR (0.55) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL8445197 0.74 TSHR (0.53) ALOX15MAPK1HSD17B10L3MBTL1TSHR
SCHEMBL535242 0.74 ALOX15 (0.74) ALOX15MAPK1HSD17B10L3MBTL1TSHR

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
EP-0656202-B1 Dyeing composition containing sulphurous p-phenylene-diamines, sulphurous p-phenylenediamines and method of preparation OREAL (FR) 1999-05-06 — — EP claimed
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