SCHEMBL6853889

SCHEMBL6853889

[CH2]C(c1ccc2nccnc2c1)C(C=O)c1ccc2nccnc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 15/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.31
NPC1 O15118 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAOB P27338 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL6854323 0.81 ALDH1A1 (0.42) OGAKMT2AMEN1ALDH1A1CASP1
SCHEMBL6852009 0.81 NPC1 (0.45) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL24368592 0.67 OGA (0.36) OGAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL1619361 0.66 OGA (0.49) OGAHPGDKDM4EALDH1A1MAPT
SCHEMBL6850925 0.66 HDAC4 (0.40) PKMMAPTPIK3CDNPC1PIK3CA
SCHEMBL6850800 0.66 MAPT (0.39) MAPTSMN1; SMN2DYRK1ADYRK1B
SCHEMBL5261918 0.64 OGA (0.34) OGA
SCHEMBL6850500 0.64 OPRD1 (0.41) HPGDPKMKDM4EALDH1A1SMN1; SMN2
SCHEMBL22423793 0.63 OGA (0.46) OGAHPGDKDM4EALDH1A1MAPT
SCHEMBL22216933 0.63 OGA (0.46) OGAHPGDKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed