SCHEMBL8088124

SCHEMBL8088124

NCCCCc1nc2ccccc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.66
ASIC3 Q9UHC3 1/20 0.66
ALOX15 P16050 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
DRD2 P14416 6/20 0.58
HTR1A P08908 6/20 0.58
HTR7 P34969 6/20 0.58
SLC6A4 P31645 3/20 0.58
PDE10A Q9Y233 1/20 0.53
LMNA P02545 1/20 0.52
HTR2A P28223 4/20 0.52
HTR2C P28335 3/20 0.52
HPGD P15428 3/20 0.51
RAB9A P51151 1/20 0.51
DRD3 P35462 5/20 0.51
DRD4 P21917 3/20 0.51
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4700806 0.98 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL11437569 0.98 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL4703105 0.98 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL29111661 0.98 UBE2T (0.64) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL10763327 0.95 UBE2T (0.68) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL3529770 0.87 UBE2T (0.72) UBE2TASIC3ALOX15HTTSMN1; SMN2
Bromide SCHEMBL11522514 0.87 SMN1; SMN2 (0.66) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL9641726 0.87 SMN1; SMN2 (0.70) UBE2TASIC3ALOX15HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL12477869 0.86 UBE2T (0.70) UBE2TASIC3ALOX15HTTSMN1; SMN2
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3ALOX15HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP claimed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO claimed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP claimed
US-6100404-A Erythromycin compounds HOECHST MARION ROUSSEL (FR) 2000-08-08 US disclosed
EP-0680967-B1 Erythromycin derivatives, their process of preparation and their use as medicaments HOECHST MARION ROUSSEL INC (FR) 1998-10-14 EP disclosed
US-5635485-A Erythromycin compounds ROUSSEL UCLAF (FR) 1997-06-03 US disclosed
WO-1995029929-A1 NOVEL ERYTHROMYCIN DERIVATIVES, METHOD FOR THEIR PREPARATION AND THEIR USE AS DRUGS ROUSSEL UCLAF (FR) 1995-11-09 WO disclosed
EP-0680967-A1 Erythromycin derivatives, their process of preparation and their use as medicaments ROUSSEL-UCLAF (FR) 1995-11-08 EP disclosed