SCHEMBL16828091

SCHEMBL16828091

Nc1cc(O)n2nccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
DYRK1A Q13627 1/20 0.40
PIM1 P11309 2/20 0.38
PRKAA1 Q13131 2/20 0.38
KDR P35968 2/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
MAP2K2 P36507 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 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
SCHEMBL17026690 0.80 CDK2 (0.48) PDE10ADYRK1APIM1PRKAA1KDR
SCHEMBL31023 0.80 PDE10A (0.46) PDE10APIM1PRKAA1KDRAURKA
SCHEMBL4102510 0.77 PDE10A (0.43) PDE10APRKAA1KDRCDK2CCNA1
SCHEMBL12364000 0.77 PDE10A (0.43) PDE10APIM1PRKAA1KDRAURKA
SCHEMBL1018372 0.77 PDE10A (0.67) PDE10ADYRK1APIM1PRKAA1KDR
SCHEMBL19953388 0.77 LOXL2 (0.46) PDE10APIM1PRKAA1KDRAURKA
SCHEMBL7431490 0.73 PRKAB2 (0.54) PDE10APRKAA1CDK2CCNA1PRKAB2
SCHEMBL1934445 0.73 PDE10A (0.40) PDE10APIM1PRKAA1KDRAURKA
SCHEMBL4253867 0.73 PIM1 (0.56) PDE10APIM1PRKAA1KDRAURKA
SCHEMBL14670969 0.73 PDE10A (0.40) PDE10ADYRK1APIM1PRKAA1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082726-A1 FOAM-STABILIZED HAIR DYE Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
EP-3082739-A1 FOAM-STABILIZED HAIR DYES Henkel AG & Co. KGaA (DE) 2016-10-26 EP disclosed
WO-2015090291-A1 FOAM-STABILIZED HAIR DYE HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed
WO-2015090290-A1 FOAM-STABILIZED HAIR DYES HENKEL AG & CO. KGAA (DE) 2015-06-25 WO disclosed