SCHEMBL670874

SCHEMBL670874

CCCn1nc(C=O)c2c(OC)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
TLR8 Q9NR97 1/20 0.37
CCR4 P51679 5/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
KCNA5 P22460 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TLR2 O60603 1/20 0.35
ERN1 O75460 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
SCHEMBL30566004 0.78 EGFR (0.35) MAPTALDH1A1GAACCR4TDP1
SCHEMBL25250578 0.78 EGFR (0.35) MAPTALDH1A1GAACCR4TDP1
SCHEMBL670542 0.74 GAA (0.41) MAPTALDH1A1GAAPOLBL3MBTL1
SCHEMBL8231479 0.74 GLS (0.44) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL16100279 0.72 CYP1A2 (0.41) MAPTALDH1A1NPSR1GAAMEN1
SCHEMBL673690 0.70 ALDH1A1 (0.48) MAPTALDH1A1NPSR1PKMTDP1
SCHEMBL13557319 0.67 CNR2 (0.46) MAPTALDH1A1GAACCR4POLB
SCHEMBL12643071 0.67 NPC1 (0.56) MAPTALDH1A1TDP1POLBL3MBTL1
SCHEMBL28347009 0.66 CNR2 (0.46) ALDH1A1TDP1L3MBTL1CNR2CNR1
SCHEMBL1093104 0.65 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ATDP1

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-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed