SCHEMBL17508307

SCHEMBL17508307

Cc1cc(N)cc(Nc2ccc([N+](=O)[O-])c(O)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GPR35 Q9HC97 2/20 0.43
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALOX15 P16050 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17508202 0.86 TSHR (0.50) MEN1KMT2AMAPK1HSD17B10L3MBTL1
SCHEMBL17508157 0.82 MAPK1 (0.49) MEN1KMT2AGPR35MAPK1HSD17B10
SCHEMBL17508331 0.78 TDP1 (0.44) MEN1KMT2AGPR35MAPK1HSD17B10
SCHEMBL17508244 0.78 ALDH1A1 (0.47) MEN1KMT2AHSD17B10L3MBTL1ALOX15
SCHEMBL9297681 0.73 GPR35 (0.56) MEN1KMT2AGPR35MAPK1HSD17B10
SCHEMBL8065690 0.73 GPR35 (0.56) GPR35MAPK1HSD17B10L3MBTL1ALOX15
SCHEMBL535242 0.72 ALOX15 (0.74) GPR35MAPK1HSD17B10L3MBTL1ALOX15
SCHEMBL2328424 0.71 MEN1 (0.57) MEN1KMT2AGPR35MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL28214254 0.71 GPR35 (0.55) GPR35MAPK1HSD17B10L3MBTL1ALOX15
SCHEMBL31096484 0.70 TSHR (0.67) MEN1KMT2AGPR35MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO claimed
WO-2016020112-A1 OXIDATION DYE PRECURSOR HENKEL AG & CO. KGAA (DE) 2016-02-11 WO disclosed