SCHEMBL6851001

SCHEMBL6851001

CCc1cnc(-c2ccc(CC=O)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
RARB P10826 1/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 5/20 0.39
METAP2 P50579 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SLC6A7 Q99884 1/20 0.37
ADRB2 P07550 1/20 0.35
LMNA P02545 1/20 0.34
NFKB1 P19838 1/20 0.33

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
SCHEMBL803074 0.85 TP53 (0.50) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL8526877 0.83 TP53 (0.48) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL6869992 0.82 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL27594216 0.81 RAB9A (0.41) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL6851863 0.80 HDAC4 (0.40) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL8753870 0.78 RAB9A (0.54) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL12970138 0.78 RAB9A (0.46) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL6853976 0.77 ADRB2 (0.59) ALDH1A1KMT2ASLC6A7ADRB2
SCHEMBL13140613 0.77 RARB (0.41) RAB9ANPC1SMN1; SMN2RARBKDM4E
SCHEMBL2557761 0.76 ALDH1A1 (0.46) SMN1; SMN2MAPTALDH1A1HPGDTP53

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 4 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
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US 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