SCHEMBL8523726

SCHEMBL8523726

C=CCc1cc2ccccc2nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
NQO2 P16083 1/20 0.34
KMT2A Q03164 4/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.32
GPR3 P46089 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
SCHEMBL3071109 0.80 ALDH1A1 (0.50) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL291342 0.79 KDM4E (0.46) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL3063629 0.78 KDM4E (0.48) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL12737723 0.75 KDM4E (0.50) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL13230292 0.75 KDM4E (0.46) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL19952669 0.75 KDM4E (0.46) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL9934343 0.75 KDM4E (0.46) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL9591117 0.75 KMT2A (0.48) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL8161366 0.75 KDM4E (0.46) KDM4EMAPTALDH1A1GLAHPGD
SCHEMBL322184 0.73 CYSLTR1 (0.49) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100247938-A1 MATERIAL FOR THREE-DIMENSIONAL MODELING, PROCESS FOR PRODUCING THREE-DIMENSIONAL MODEL, AND THREE-DIMENSIONAL MODEL FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
EP-0498721-B1 N-substituted quinoline derivatives, process for their preparation, their use as pharmaceuticals and pharmaceutical compositions containing them HOECHST MARION ROUSSEL INC (FR) 1999-12-22 EP disclosed