SCHEMBL6852406

SCHEMBL6852406

OC/C=C/c1ccc(-n2ccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.54
MKNK1 Q9BUB5 1/20 0.54
MKNK2 Q9HBH9 1/20 0.54
MAOB P27338 3/20 0.52
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP21A2 P08686 1/20 0.50
CYP11B1 P15538 1/20 0.50
NOTUM Q6P988 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 2/20 0.49
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
BAZ2B Q9UIF8 1/20 0.47

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
SCHEMBL6852411 1.00 ENPP2 (0.54) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL8401613 0.84 MAOB (0.52) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL7385020 0.84 MAOB (0.52) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL8828266 0.82 MAOB (0.54) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL8828261 0.82 MAOB (0.54) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL8588678 0.82 IDO1 (0.51) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL8588675 0.82 IDO1 (0.51) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL10520409 0.81 MAOB (0.53) ENPP2MKNK1MKNK2MAOBMAPT
SCHEMBL6847869 0.80 QPCT (0.43) MAOBMAPTLMNAKMT2AKDM4E
SCHEMBL6847872 0.80 QPCT (0.43) MAOBMAPTLMNAKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed
US-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0320984-A2 1,4-Dihydropyridine derivatives FUJIREBIO INC. (JP) 1989-06-21 EP disclosed