SCHEMBL5558079

SCHEMBL5558079

O=C(Nc1ccccn1)c1cc[c]o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
CYP1A2 P05177 1/20 0.60
PKM P14618 2/20 0.55
TP53 P04637 2/20 0.55
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 2/20 0.49
GRM5 P41594 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HIF1A Q16665 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48

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
SCHEMBL2807153 0.75 RAB9A (1.00) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL4289654 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL9384187 0.73 NPC1 (0.72) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL28720941 0.73 RAB9A (0.77) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL5514972 0.73 HPGD (0.70) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL28713223 0.73 HPGD (0.63) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL997866 0.72 RAB9A (0.89) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL29366822 0.72 RAB9A (0.89) NPC1RAB9ASMN1; SMN2CYP1A2PKM
SCHEMBL5011704 0.71 RAB9A (0.86) NPC1RAB9ASMN1; SMN2PKMTP53
SCHEMBL30565139 0.70 RAB9A (1.00) NPC1RAB9ASMN1; SMN2PKMMEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US claimed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP claimed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US claimed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO claimed
CN-100460415-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2009-02-11 CN disclosed
CN-100441591-C Ketolactones, their use and process for their preparation and pharmaceutical compositions containing them ABBOTT LAB (US) 2008-12-10 CN disclosed
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US disclosed
CN-1273475-C 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 2006-09-06 CN disclosed
EP-1291353-B1 6-O-substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-06-01 EP disclosed
EP-1291352-B1 6-O-substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-05-25 EP disclosed
EP-1291350-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-05-25 EP disclosed
EP-1291353-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
EP-1291352-A1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2003-03-12 EP disclosed
US-6147197-A INCREASED ACID STABILITY AND ENHANCED ACTIVITY TOWARD GRAM NEGATIVE BACTERIA AND MACROLIDE RESISTANT GRAM POSITIVE BACTERIA ABBVIE INC. 2000-11-14 US disclosed
US-6075133-A INCREASED ACID STABILITY AND ENHANCED BACTERICIDAL ACTIVITY ABBOTT LABORATORIES (US) 2000-06-13 US disclosed
US-6028181-A 6-0-Substituted antibacterial erythromycin ketolides and methods of making ABBOTT LABORATORIES (US) 2000-02-22 US disclosed
CN-1237183-A 6-0-substituted ketolides with antibacterial activity ABBOTT CO (US) 1999-12-01 CN disclosed
EP-0929563-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 1999-07-21 EP disclosed
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed
WO-1998009978-A1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1998-03-12 WO disclosed