SCHEMBL9837642

SCHEMBL9837642

C=CCc1cccc(/C=N\O)c1O.CCCCCCCCCCCCc1cccc(/C=N\O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.50
MEN1 O00255 10/20 0.50
LMNA P02545 5/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 9/20 0.46
KDM4E B2RXH2 8/20 0.46
GAA P10253 3/20 0.46
CASP1 P29466 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX12 P18054 2/20 0.46
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
HTT P42858 8/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5078103 0.91 ALOX5 (0.51) KMT2AMEN1MAPTKDM4EHSD17B10
SCHEMBL2283264 0.91 ALOX5 (0.51) KMT2AMEN1MAPTKDM4EHSD17B10
SCHEMBL5072960 0.91 ALOX5 (0.51) KMT2AMEN1MAPTKDM4EHSD17B10
SCHEMBL5075323 0.91 ALOX5 (0.51) KMT2AMEN1MAPTKDM4EHSD17B10
SCHEMBL27796003 0.85 ALOX12 (0.49) KMT2AMEN1ALOX12ALOX5PTGS2
SCHEMBL11407167 0.85 GABRA1 (0.54) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL7171833 0.85 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL6823137 0.85 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL9717720 0.78 LIPG (0.53) KMT2AMEN1MAPTALOX5PTGS2
SCHEMBL7984518 0.78 LIPG (0.53) KMT2AMEN1MAPTALOX5PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0295278-B1 A PROCESS FOR OVERBASING VIA METAL BORATE FORMATION The Lubrizol Corporation (US) 1991-05-08 EP claimed