SCHEMBL7105947

SCHEMBL7105947

CCC[CH]n1cnc2ccncc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
FGFR1 P11362 1/20 0.33
JAK2 O60674 5/20 0.33
JAK3 P52333 5/20 0.33
CYP2C9 P11712 1/20 0.32
IDO1 P14902 1/20 0.32
KCNH2 Q12809 1/20 0.32
RPS6KA5 O75582 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PDE2A O00408 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LCK P06239 1/20 0.30

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
SCHEMBL7154569 0.88 FGFR1 (0.43) LTA4HFGFR1JAK2JAK3CYP2C9
SCHEMBL7109675 0.73 HDAC6 (0.34) LTA4H
SCHEMBL7975287 0.71 LTA4H (0.48) LTA4HFGFR1RPS6KA5SMN1; SMN2KDM4E
SCHEMBL7102527 0.71 FDPS (0.39) LTA4HCYP2C9ALDH1A1LMNAHSD17B10
SCHEMBL7103803 0.70 PDE10A (0.38) LMNATP53MAPT
SCHEMBL7149525 0.70 LTA4H (0.35) LTA4HCYP2C9IDO1
SCHEMBL559450 0.69 LTA4H (0.49) LTA4HSMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL84793 0.69 LTA4H (0.41) LTA4HFGFR1JAK2JAK3KDM4E
SCHEMBL22930552 0.67 EGFR (0.40) LTA4HFGFR1JAK2JAK3CYP2C9
SCHEMBL13083686 0.66 FGFR1 (0.42) LTA4HFGFR1JAK2JAK3KCNH2

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