SCHEMBL6850600

SCHEMBL6850600

OCC=Cc1cnn(-c2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
GAA P10253 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
MTOR P42345 2/20 0.44
RPTOR Q8N122 1/20 0.42
MLST8 Q9BVC4 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ACKR3 P25106 1/20 0.40
HPGD P15428 5/20 0.39

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
SCHEMBL6850593 1.00 RAB9A (0.63) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6847942 0.78 NPC1 (0.64) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6851929 0.78 NPC1 (0.64) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL9191311 0.75 NPC1 (0.60) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6854100 0.75 NPC1 (0.65) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6854096 0.75 NPC1 (0.65) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6847946 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6876039 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL6847944 0.75 RAB9A (0.52) RAB9ANPC1SMN1; SMN2GAAHDAC1
SCHEMBL70114 0.74 NPC1 (0.63) RAB9ANPC1SMN1; SMN2GAAHDAC1

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
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