SCHEMBL5553563

SCHEMBL5553563

O=C1c2ccccc2C(=O)N1OCc1ccnc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LOXL2 Q9Y4K0 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
PTK2B Q14289 2/20 0.43
ATM Q13315 1/20 0.42
ESR1 P03372 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 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
SCHEMBL5558965 0.77 ALDH1A1 (0.57) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL6924645 0.73 ALDH1A1 (0.54) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2219482 0.72 ALDH1A1 (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL22833014 0.72 MEN1 (0.48) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL2806295 0.71 MEN1 (0.39) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL7956261 0.71 LOXL2 (0.58) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3142083 0.71 LOXL2 (0.58) ALDH1A1HTTMAPTLOXL2SMN1; SMN2
SCHEMBL5012674 0.71 LOXL2 (0.63) ALDH1A1LOXL2SMN1; SMN2CYP1A2KDM4E
SCHEMBL17161188 0.70 ALDH1A1 (0.60) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL3374656 0.70 ALDH1A1 (0.60) ALDH1A1HTTMAPTMEN1KMT2A

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 14 patents. 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 disclosed
EP-1291351-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-07-13 EP disclosed
EP-0929563-B1 6-O-SUBSTITUTED KETOLIDES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LAB (US) 2005-06-01 EP 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-1291350-A1 6-0 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
EP-1291351-A1 6-0 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
US-5866549-A MACROLIDE ANTIBIOTICS ABBOTT LABORATORIES (US) 1999-02-02 US disclosed