SCHEMBL9506799

SCHEMBL9506799

O=[N+]([O-])c1ccc(-n2ccc3cc(O)c(O)cc32)cc1.Oc1cc2cc[nH]c2cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.35
NOX4 Q9NPH5 2/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CDC7 O00311 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 1/20 0.33
ALDH1A1 P00352 2/20 0.33
PTK2 Q05397 1/20 0.32
ADRB1 P08588 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32
GPR35 Q9HC97 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL9508601 0.88 SRC (0.42) SRCNOX4PRKACAPRKACGPRKACB
SCHEMBL9504714 0.85 ALDH1A1 (0.41) NOX4CDC7MAPTGAAALDH1A1
SCHEMBL9506012 0.82 MAPT (0.34) MAPTGAA
SCHEMBL257518 0.72 SLC6A2 (0.49) CDC7MAPTALDH1A1PTK2
SCHEMBL9112610 0.71 ALDH1A1 (0.51) NOX4CDC7MAPTGAAALDH1A1
SCHEMBL31375351 0.68 TYR (0.58) GAAALDH1A1HPGDMAPK1
SCHEMBL28298713 0.68 TYR (0.58) GAAALDH1A1HPGDMAPK1
SCHEMBL48994 0.68 TYR (0.58) GAAALDH1A1HPGDMAPK1
SCHEMBL31375356 0.68 TYR (0.58) GAAALDH1A1HPGDMAPK1
SCHEMBL5659157 0.68 BIRC5 (0.47) CDC7MAPTALDH1A1TP53SMN1; SMN2

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-0335477-B1 THE USE OF N-SUBSTITUTED-5,6-DIHYDROXYINDOLES AS A HAIR COLORING AGENT Bristol-Myers Squibb Company (US) 1993-07-21 EP claimed