SCHEMBL9668239

SCHEMBL9668239

CCN(CC)c1nc(N(CCO)CCOC)nc2c(N(CC)CC)nc(N(CCO)CCOC)nc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 18/20 0.79
PRUNE1 Q86TP1 2/20 0.41
CRHR1 P34998 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PDE2A O00408 1/20 0.37
RGS12 O14924 1/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
ABCC5 O15440 1/20 0.37
PDE6D O43924 1/20 0.37
PDE8A O60658 1/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
PDE5A O76074 1/20 0.37
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL30066743 1.00 SLC29A1 (0.79) SLC29A1PRUNE1CRHR1KDM4EMEN1
SCHEMBL25191652 0.73 SLC29A1 (0.59) SLC29A1PRUNE1CRHR1KDM4EMEN1
SCHEMBL17857263 0.72 SLC29A1 (0.54) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL11766019 0.72 SLC29A1 (0.68) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL2115019 0.72 SLC29A1 (0.53) SLC29A1CRHR1MEN1LMNACYP3A4
SCHEMBL15721375 0.71 SLC29A1 (0.87) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL12169523 0.70 SLC29A1 (0.64) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL11986991 0.68 SLC29A1 (0.48) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25214099 0.67 SLC29A1 (0.63) SLC29A1PRUNE1KDM4EMEN1PDE2A
SCHEMBL25205562 0.67 SLC29A1 (0.63) SLC29A1PRUNE1KDM4EMEN1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460023-A4 PYRIMIDO-PYRIMIDINE LIPOXYGENASE INHIBITING COMPOUNDS 1992-04-08 EP disclosed
EP-0460023-A1 PYRIMIDO-PYRIMIDINE LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1991-12-11 EP disclosed
US-4963541-A INHIBIT BIOSYNTHESIS OF LEUKOTRIENES ABBOTT LABORATORIES (US) 1990-10-16 US disclosed
WO-1990009996-A1 PYRIMIDO-PYRIMIDINE LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-09-07 WO disclosed