SCHEMBL6851853

SCHEMBL6851853

[CH2]CCc1ccc2nccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.42
SHMT2 P34897 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MET P08581 1/20 0.35
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL3820906 0.83 ECE2 (0.45) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL31287242 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9ATDP1
SCHEMBL5151371 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL5248396 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL5155836 0.79 KDM4E (0.47) ECE2SHMT2NPC1RAB9ATDP1
SCHEMBL31287240 0.79 ECE2 (0.42) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL9971308 0.79 CNR1 (0.44) ECE2SHMT2NPC1RAB9AMEN1
SCHEMBL2859216 0.79 TAAR1 (0.45) ECE2SHMT2TDP1L3MBTL1MAPT
SCHEMBL5546704 0.77 DAO (0.54) NPC1RAB9AMETMAPTKDM4E
SCHEMBL5544956 0.77 ALDH1A1 (0.50) NPC1RAB9AMEN1KMT2AALDH1A1

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