SCHEMBL5367514

SCHEMBL5367514

CCOc1cc(C)c(N)cc1N.COc1cc(C)c(N)cc1N.Cc1cc(OCCO)c(N)cc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.43
GAA P10253 4/20 0.43
GFER P55789 1/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
MAPT P10636 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 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
SCHEMBL4245018 0.89 GAA (0.51) POLBGAAGFERPDE4APDE4B
SCHEMBL455549 0.87 ALDH1A1 (0.41) POLBGAAGFERMAPTKDM4E
SCHEMBL29353325 0.87 ALDH1A1 (0.41) POLBGAAGFERMAPTKDM4E
Hydrochloric Acid SCHEMBL3333887 0.86 ALDH1A1 (0.40) POLBGAAGFERMAPTKDM4E
Hydrochloric Acid SCHEMBL10361244 0.86 ALDH1A1 (0.40) POLBGAAGFERMAPTKDM4E
SCHEMBL8034582 0.84 GAA (0.47) POLBGAAPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL10891581 0.82 GAA (0.46) POLBGAAMAPTKDM4EHSD17B10
SCHEMBL148285 0.82 MAPT (0.53) POLBGAAGFERPDE4APDE4B
SCHEMBL29358090 0.82 MAPT (0.53) POLBGAAGFERPDE4APDE4B
Hydrochloric Acid SCHEMBL10362702 0.81 MAPT (0.52) POLBGAAGFERPDE4APDE4B

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-7273058-B2 Dividing hair into individual strands and winding on curlers; prior to application on hair, mixing shaping component with dye component having keratin-reducing agent and 4,5-diaminopyrazole and/or aminophenol derivative(s); fixing, rinsing WELLA AG (DE) 2007-09-25 US claimed