SCHEMBL11545985

SCHEMBL11545985

Nc1ncc(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.56
XDH P47989 6/20 0.51
NOS1 P29475 1/20 0.49
ALDH1A1 P00352 1/20 0.46
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
QTRT1 Q9BXR0 1/20 0.44
MAPT P10636 1/20 0.44
AOC3 Q16853 1/20 0.43
LMNA P02545 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL7714691 0.84 DGAT1 (0.43) MASP2XDHNOS1ALDH1A1FGFR1
SCHEMBL7708428 0.82 NOS1 (0.51) MASP2XDHNOS1FGFR1
SCHEMBL7708406 0.82 LTA4H (0.50) XDHALDH1A1MAPT
SCHEMBL28868937 0.79 RECQL (0.60) ALDH1A1MAPTUSP30
SCHEMBL13665045 0.74 MASP2 (0.72) MASP2ALDH1A1FGFR1AOC3LMNA
SCHEMBL10981729 0.74 LMNA (0.55) XDHALDH1A1PDE4APDE4BPDE4C
SCHEMBL725351 0.72 MASP2 (1.00) MASP2AOC3
SCHEMBL7515639 0.71 TYMS (0.51) MASP2XDHNOS1QTRT1AOC3
SCHEMBL6049582 0.71 NUDT1 (0.50) XDHFGFR1PDE3A
SCHEMBL5206240 0.70 NOS1 (0.45) MASP2XDHNOS1QTRT1AOC3

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-4171429-A Pyrimidine to pyrimidine transformation process RESEARCH CORPORATION (US) 1979-10-16 US disclosed