SCHEMBL7474680

SCHEMBL7474680

COc1ccc(C2=NC(C)(C)CO2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
IL2 P60568 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP17A1 P05093 1/20 0.42
PTGS2 P35354 4/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
PTGS1 P23219 2/20 0.41
TDP2 O95551 1/20 0.40

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
SCHEMBL7283163 0.87 LMNA (0.49) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL5683723 0.84 LMNA (0.51) LMNAMAPTHTTIL2HRH3
SCHEMBL8085943 0.83 MAPT (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL10522454 0.83 MAPT (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL22053097 0.81 LMNA (0.47) LMNAMAPTHTTIL2HRH3
SCHEMBL9997018 0.80 LMNA (0.46) LMNAMAPTHTTIL2HRH3
SCHEMBL8493338 0.80 HTT (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL8078054 0.80 LMNA (0.46) LMNAMAPTHTTHRH3CYP2D6
SCHEMBL26832840 0.78 LMNA (0.44) LMNAMAPTHTTIL2HRH3
SCHEMBL10442169 0.77 ATM (0.45) LMNAMAPTHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP claimed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-6004977-A ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0950056-A2 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS HOECHST MARION ROUSSEL, INC. (US) 1999-10-20 EP disclosed
WO-1998029407-A2 N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION HOECHST MARION ROUSSEL, INC. (US) 1998-07-09 WO disclosed