SCHEMBL5199692

SCHEMBL5199692

COc1ccc(-c2n[nH]c(N)c2N=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 1/20 0.51
GFER P55789 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
DYRK1A Q13627 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CDK4 P11802 3/20 0.45
CCND1 P24385 3/20 0.45
CCNE2 O96020 2/20 0.45
CCNE1 P24864 2/20 0.45
CDK2 P24941 2/20 0.45
ACHE P22303 1/20 0.44
ALPL P05186 1/20 0.42
LMNA P02545 1/20 0.42
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41

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
SCHEMBL5201367 0.79 KMT2A (0.54) MAPTGAARAB9AGFERMEN1
SCHEMBL2089484 0.78 KMT2A (0.53) MAPTGAARAB9AGFERMEN1
SCHEMBL5202475 0.75 ALDH1A1 (0.51) MAPTGAARAB9AGFERMEN1
SCHEMBL8124145 0.75 ADORA1 (0.65) MAPTMEN1KMT2ADYRK1AKDM4E
SCHEMBL19926114 0.73 CDK4 (0.53) MAPTGAARAB9AMEN1KMT2A
SCHEMBL4711570 0.72 KDM4E (0.47) MAPTRAB9AMEN1KMT2ADYRK1A
SCHEMBL13516427 0.71 MAPT (0.50) MAPTGAARAB9AGFERMEN1
SCHEMBL12398411 0.70 SMN1; SMN2 (0.66) MAPTGAARAB9AGFERMEN1
SCHEMBL17244337 0.69 DHFR (0.41) MAPTKMT2ADYRK1APDE3BPDE3A
SCHEMBL28067319 0.68 MAPT (0.50) MAPTGAARAB9AGFERMEN1

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
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 WO disclosed