SCHEMBL6852209

SCHEMBL6852209

O=CC#Cc1cnc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ERN1 O75460 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 4/20 0.37
GPR3 P46089 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
HTT P42858 3/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL6847920 0.76 GRM5 (0.54) ALDH1A1HPGDALOX15HSD17B10MEN1
SCHEMBL6847792 0.76 PDE10A (0.44) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL95119 0.75 ALDH1A1 (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL2362132 0.74 GRM5 (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL6237649 0.72 ALDH1A1 (0.58) ALDH1A1KMT2ARAB9AKDM4ELCK
SCHEMBL6352308 0.71 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL1999094 0.71 MAPT (0.53) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL31526085 0.71 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL5845182 0.71 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A
SCHEMBL2747071 0.71 PDE10A (0.47) ALDH1A1HPGDALOX15HSD17B10PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
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