SCHEMBL14445271

SCHEMBL14445271

NCCNc1c(N)cnn1CC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.36
KMO O15229 1/20 0.35
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ZAP70 P43403 1/20 0.30
SYK P43405 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 1/20 0.30
GRIA4 P48058 1/20 0.30
GRIK5 Q16478 1/20 0.30

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
SCHEMBL14445266 0.88 KMO (0.35) KMOGAATP53KDM4EHSD17B10
SCHEMBL5425242 0.88 KDM4C (0.33) KDM4CLMNAZAP70SYK
SCHEMBL14445269 0.84 KMO (0.40) KMOGAATP53KDM4EHSD17B10
SCHEMBL14445264 0.83 GAA (0.38) KMOGAATP53KDM4EHSD17B10
SCHEMBL14445262 0.80 GAA (0.40) KMOGAATP53KDM4EHSD17B10
SCHEMBL14445234 0.79 KDM4C (0.32) KDM4CKMO
SCHEMBL5425084 0.76 PLAU (0.35) KMOLMNAALDH1A1
SCHEMBL5426887 0.76 JAK3 (0.31) LMNA
SCHEMBL5423085 0.75 CDK1 (0.32) LMNA
SCHEMBL14445202 0.73 APP (0.35) LMNA

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
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed
US-7250063-B2 Diaminopyrazole derivatives and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2007-07-31 US disclosed