SCHEMBL8673156

SCHEMBL8673156

CCCCc1[nH]c(N)nc(=O)c1Cc1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.35
LTB4R Q15722 1/20 0.35
CCR2 P41597 1/20 0.34
CCR5 P51681 1/20 0.34
BACE1 P56817 1/20 0.34
PNP P00491 3/20 0.34
TLR8 Q9NR97 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL8670120 0.88 TYMS (0.39) HIF1ALTB4RCCR2CCR5BACE1
SCHEMBL8673158 0.80 HIF1A (0.49) HIF1ACCR2CCR5PNPALDH1A1
SCHEMBL8801326 0.78 ACHE (0.45)
SCHEMBL1123622 0.74 KMT2A (0.46) BACE1PNPSMN1; SMN2KDM4EABL1
SCHEMBL9200181 0.72 AGTR1 (0.40) TLR8TSHRKDM4EALDH1A1MAPT
SCHEMBL9276461 0.71 PSMB5 (0.35) CCR2CCR5
SCHEMBL9423837 0.71 MAPT (0.38) HIF1ASMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL8670123 0.68 HIF1A (0.49) HIF1ACCR2CCR5PNPALDH1A1
SCHEMBL9424129 0.64 TLR8 (0.34) CCR2CCR5TLR8
SCHEMBL320046 0.64 CA2 (0.54) HIF1ATP53SMN1; SMN2KDM4EALDH1A1

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