SCHEMBL8673158

SCHEMBL8673158

CCCCc1nc(N)[nH]c(=O)c1Cc1ccc(I)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.49
CCR2 P41597 4/20 0.41
CCR5 P51681 1/20 0.41
PNP P00491 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TYMS P04818 2/20 0.36

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
SCHEMBL8670123 0.88 HIF1A (0.49) HIF1ACCR2CCR5PNPALDH1A1
SCHEMBL9423837 0.86 MAPT (0.38) HIF1AALDH1A1MAPTHPGDMEN1
SCHEMBL8673156 0.80 HIF1A (0.35) HIF1ACCR2CCR5PNPALDH1A1
SCHEMBL8671011 0.78 ACHE (0.45) HIF1A
SCHEMBL8979863 0.78 AGTR2 (0.55)
SCHEMBL1123369 0.77 ALDH1A1 (0.52) PNPALDH1A1MAPTHPGDMEN1
SCHEMBL8672211 0.75 AGTR1 (0.49)
SCHEMBL8979806 0.75
SCHEMBL8671888 0.74 ACHE (0.49) HIF1A
SCHEMBL9205143 0.74 CYP19A1 (0.39) HIF1ACCR2CCR5ALDH1A1HPGD

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
US-5804583-A Pyrimidinone derivatives fused to nitrogen heterocycles having a II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA (IT) 1998-09-08 US disclosed
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP disclosed
EP-0680480-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. LUSO FARMACO INST (IT) 1995-11-08 EP disclosed
WO-1994017067-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-08-04 WO disclosed