SCHEMBL5514972

SCHEMBL5514972

O=C(Nc1ccccn1)c1ccc(Br)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.70
ALDH1A1 P00352 5/20 0.70
TDP1 Q9NUW8 2/20 0.70
KDM4E B2RXH2 1/20 0.70
HSD17B10 Q99714 1/20 0.70
RAB9A P51151 9/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
CYP1A2 P05177 2/20 0.60
PKM P14618 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 2/20 0.58
MAPT P10636 3/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MITF O75030 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL28713223 0.82 HPGD (0.63) HPGDALDH1A1TDP1KDM4ERAB9A
SCHEMBL28958721 0.78 HPGD (0.65) HPGDALDH1A1TDP1KDM4EHSD17B10
SCHEMBL1520612 0.77 HPGD (1.00) HPGDTDP1KDM4ERAB9ANPC1
SCHEMBL1518767 0.77 MAPK8 (0.69) HPGDALDH1A1TDP1KDM4EHSD17B10
SCHEMBL3642839 0.76 MAPT (0.88) HPGDALDH1A1TDP1KDM4EHSD17B10
SCHEMBL2807153 0.75 RAB9A (1.00) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL9384187 0.73 NPC1 (0.72) HPGDALDH1A1KDM4EHSD17B10RAB9A
SCHEMBL21579348 0.73 NPC1 (0.62) KDM4ERAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL16594642 0.73 RAB9A (0.83) TDP1KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL27473596 0.73 MEN1 (0.69) HPGDALDH1A1KDM4EHSD17B10RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39836-E1 Macrolide antinfective agents KOSAN BIOSCIENCES, INC. (US) 2007-09-11 US disclosed
CN-1984918-A Ketolide antibacterials ORTHO MCNEIL PHARM INC (US) 2007-06-20 CN disclosed
US-RE39591-E1 6-O-substituted ketolides having antibacterial activity ABBOTT LABORATORIES (US) 2007-04-24 US disclosed
EP-1171446-B1 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES INC (US) 2006-09-20 EP disclosed
CN-1241931-C Macrolide antinfective agents KOSAN BIOSCIENCES INC (US) 2006-02-15 CN disclosed
EP-1291351-B1 6-0 substituted ketolides having antibacterial activity ABBOTT LAB (US) 2005-07-13 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-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
EP-1171446-A2 MACROLIDE ANTIINFECTIVE AGENTS Kosan Biosciences, Inc. (US) 2002-01-16 EP disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 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
WO-2000063224-A2 MACROLIDE ANTIINFECTIVE AGENTS KOSAN BIOSCIENCES, INC. (US) 2000-10-26 WO disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO 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
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