SCHEMBL9166765

SCHEMBL9166765

Nc1nc2c(c(=O)[nH]1)CCc1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.61
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
DYRK1A Q13627 1/20 0.48
HRH4 Q9H3N8 2/20 0.47
GSR P00390 1/20 0.47
XDH P47989 5/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 1/20 0.45
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
ADORA2A P29274 1/20 0.44

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
SCHEMBL28579538 0.78 MEN1 (0.55) TYMSBCHEACHEHRH4GSR
SCHEMBL29483383 0.78 MEN1 (0.55) TYMSBCHEACHEHRH4GSR
SCHEMBL9167306 0.77 TYMS (0.57) TYMSACHEKDM4EALDH1A1
SCHEMBL6648263 0.76 TYMS (1.00) TYMS
SCHEMBL29624015 0.72 TYMS (0.58) TYMSHRH4XDH
SCHEMBL4877642 0.72 BCHE (0.57) BCHEACHEDYRK1AHRH4KDM4E
SCHEMBL31322343 0.72 MAPK1 (0.51) TYMSBCHEACHEDYRK1AGSR
SCHEMBL7049426 0.71 BCHE (0.65) BCHEACHEDYRK1AHRH4KDM4E
Hydrochloric Acid SCHEMBL8059101 0.70 BCHE (0.63) BCHEACHEDYRK1AHRH4KDM4E
SCHEMBL4588982 0.69 HRH4 (0.57) BCHEACHEDYRK1AHRH4KDM4E

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
EP-0123750-B1 Condensed amino pyrimidinones and their use in the treatment and prophylaxis of viral infections BIOMEASURE INC (US) 1995-04-26 EP claimed