SCHEMBL6594041

SCHEMBL6594041

O=c1nc(C=Cc2c(Cl)cccc2Cl)cc(-c2ccccc2)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
CDC7 O00311 4/20 0.45
ADORA2A P29274 5/20 0.43
ADORA1 P30542 5/20 0.43
LMNA P02545 2/20 0.43
GMNN O75496 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL6594036 1.00 KDM4E (0.50) KDM4EHSD17B10ALDH1A1HPGDCDC7
SCHEMBL6598618 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDCDC7
SCHEMBL6598621 0.81 KDM4E (0.57) KDM4EHSD17B10ALDH1A1HPGDCDC7
SCHEMBL6665598 0.80 KDM4E (0.39) KDM4EALDH1A1HPGDADORA2AADORA1
SCHEMBL6594202 0.79 MAPT (0.42) KDM4EALDH1A1HPGDLMNAPKM
SCHEMBL6594197 0.79 MAPT (0.42) KDM4EALDH1A1HPGDLMNAPKM
SCHEMBL6591213 0.76 CDC7 (0.46) KDM4EHSD17B10ALDH1A1HPGDCDC7
SCHEMBL6591217 0.76 CDC7 (0.46) KDM4EHSD17B10ALDH1A1HPGDCDC7
SCHEMBL6594838 0.76 TNF (0.65) KDM4EALDH1A1HPGDLMNACYP1A2
SCHEMBL6594835 0.76 TNF (0.65) KDM4EALDH1A1HPGDLMNACYP1A2

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
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO claimed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP claimed
WO-2004016271-A1 PYRIMIDONES AS ANTIVIRAL AGENTS AXXIMA PHARMACEUTICALS AG (DE) 2004-02-26 WO disclosed
EP-1389461-A1 Pyrimidones with antiviral properties Axxima Pharmaceuticals Aktiengesellschaft (DE) 2004-02-18 EP disclosed