SCHEMBL4846820

SCHEMBL4846820

CCNc1cc(C)c(N)c2oc3ccccc3c12.Cc1ccc2c(c1)oc1ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
GAA P10253 4/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MAOA P21397 1/20 0.34
AHR P35869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3877504 0.91 KDM4E (0.47) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL3874836 0.81 KDM4E (0.47) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL4846827 0.78 RAB9A (0.35) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL3874539 0.78 RECQL (0.50) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL3872796 0.76 ALDH1A1 (0.52) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL3876483 0.72 KDM4E (0.47) MAPTKDM4EGAAHSD17B10ALDH1A1
SCHEMBL30743074 0.71 AHR (0.59) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL2628334 0.71 AHR (0.59) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL3873224 0.71 NQO1 (0.43) MAPTKDM4EGAAHSD17B10HPGD
SCHEMBL13564024 0.70 DYRK1A (0.49) MAPTKDM4EGAAHPGDALDH1A1

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed