SCHEMBL6684498

SCHEMBL6684498

CCOC(=O)c1nc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccc(OC)nc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PABPC1 P11940 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 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
SCHEMBL6686314 0.90 L3MBTL1 (0.59) KMT2AL3MBTL1GABRA2GABRB2ADORA2A
SCHEMBL6684522 0.87 MEN1 (0.48) KMT2AMEN1PABPC1L3MBTL1MAPT
SCHEMBL6686978 0.86 MEN1 (0.46) KMT2AMEN1PABPC1L3MBTL1MAPT
SCHEMBL6687139 0.84 MEN1 (0.48) KMT2AMEN1PABPC1L3MBTL1GABRA2
SCHEMBL2918050 0.83 MDM2 (0.59) KMT2AMEN1PABPC1GABRA2GABRA1
SCHEMBL4988288 0.82 MEN1 (0.48) KMT2AMEN1PABPC1L3MBTL1NPC1
SCHEMBL5783615 0.80 L3MBTL1 (0.55) KMT2AMEN1L3MBTL1MAPTHPGD
SCHEMBL6689709 0.80 PTGS1 (0.46) KMT2AMEN1PABPC1L3MBTL1GABRA2
SCHEMBL5425301 0.78 GABRA2 (0.64) KMT2AMEN1PABPC1L3MBTL1GABRA2
SCHEMBL5784589 0.78 SMN1; SMN2 (0.63) KMT2AMEN1L3MBTL1MAPTHPGD

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
WO-2004060367-A1 IMIDAZOLE AND TRIAZOLE DERIVATIVES USEFUL AS SELECTIVE COX-1 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-07-22 WO disclosed