SCHEMBL9572467

SCHEMBL9572467

NC(=O)Oc1ccc(OC(N)=O)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
NNMT P40261 4/20 0.42
KIF11 P52732 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
OPRM1 P35372 5/20 0.37
OPRD1 P41143 5/20 0.37
OPRK1 P41145 5/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GRIN1 Q05586 1/20 0.35

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
SCHEMBL22250702 0.87 NNMT (0.59) KMT2AMEN1NNMTMKNK1MKNK2
SCHEMBL28723848 0.84 MAPT (0.54) KMT2AMEN1NNMTACACBALDH1A1
SCHEMBL28723890 0.83 OPRM1 (0.51) KMT2AMEN1ACACBOPRM1OPRD1
SCHEMBL28723920 0.83 GCK (0.40) KMT2AMEN1NNMTKIF11MKNK1
SCHEMBL27691370 0.82 NNMT (0.53) KMT2AMEN1NNMTKIF11MKNK1
SCHEMBL28437724 0.81 MEN1 (0.51) KMT2AMEN1ACACBACACAKDM4E
SCHEMBL28897219 0.81 ACACB (0.43) KMT2AACACBACACAOPRM1OPRD1
SCHEMBL22557500 0.80 KDM4E (0.44) KMT2AMEN1NNMTMKNK1MKNK2
SCHEMBL29078226 0.80 NNMT (0.42) KMT2AMEN1NNMTMKNK1MKNK2
SCHEMBL28723831 0.80 KMT2A (0.45) KMT2AMEN1NNMTKIF11MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527441-A2 Water-soluble phthalocyanine dyes, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-02-17 EP disclosed
EP-0231837-B1 PROCESS FOR THE PREPARATION OF WATER SOLUBLE PHTHALOCYANINE DYES HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-02 EP disclosed