SCHEMBL7105950

SCHEMBL7105950

[CH2]CCCn1cnc2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
LMNA P02545 5/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 4/20 0.38
STAT3 P40763 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DRD2 P14416 1/20 0.37

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
SCHEMBL5748676 0.87 LTA4H (0.51) LTA4HTDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL7102721 0.87 LTA4H (0.51) LTA4HTDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL559450 0.84 LTA4H (0.49) LTA4HTDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL293155 0.79 TDP1 (0.72) TDP1MAPTSMN1; SMN2LMNAALOX15
SCHEMBL10469109 0.78 EGLN3 (0.52) LTA4HHSD17B10SMN1; SMN2LMNAALOX15
SCHEMBL5717591 0.78 LTA4H (0.49) LTA4HTDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL7975287 0.77 LTA4H (0.48) LTA4HTDP1MAPTHSD17B10SMN1; SMN2
SCHEMBL4647697 0.76 LTA4H (0.46) LTA4HMAPTSMN1; SMN2LMNAALOX15
SCHEMBL4647692 0.75 LTA4H (0.45) LTA4HTDP1MAPTSMN1; SMN2LMNA
SCHEMBL7139516 0.75 LTA4H (0.69) LTA4HMAPTSMN1; SMN2LMNAALOX15

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US claimed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP claimed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO claimed
EP-1345953-A2 KETOLIDE ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-09-24 EP disclosed
US-6590083-B1 Compounds of given formula; erythromycin derivatives; useful in the treatment of bacterial and protozoal infections and conditions involving gastric motility ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-07-08 US disclosed
US-6458771-B1 SERIES OF KETOLIDE ANTIBACTERIALS IN THE MACROLIDE FAMILY, DRUGS AND INTERMEDIATES, ERYTHROMYCIN ANALOGUES USEFUL IN THE TREATMENT OF BACTERIAL AND PROTOZOAL INFECTIONS AND IN THE TREATMENT OF GASTRIC MOTILITY ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-01 US disclosed
US-6399582-B1 GASTROINTESTINAL DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-06-04 US disclosed
WO-2002032918-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-04-25 WO disclosed
EP-1171447-A2 KETOLIDE ANTIBACTERIALS Ortho-McNeil Pharmaceutical, Inc. (US) 2002-01-16 EP disclosed
WO-2000062783-A2 KETOLIDE ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-10-26 WO disclosed