SCHEMBL6875879

SCHEMBL6875879

O=CCc1ccc(-n2cncn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
KDM4E B2RXH2 2/20 0.66
ALDH1A1 P00352 1/20 0.66
FBP1 P09467 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
CYP2A6 P11509 1/20 0.43
CYP11B2 P19099 1/20 0.43
DPP4 P27487 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
BRS3 P32247 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMYD3 Q9H7B4 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL4573341 0.81 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL19567209 0.79 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL951176 0.79 ALDH1A1 (1.00) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL676381 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL4573347 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL6869977 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL696687 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL6847934 0.78 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL179126 0.78 CYP1A2 (0.58) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2
SCHEMBL17832900 0.77 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EALDH1A1FBP1CYP1A2

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