SCHEMBL8328348

SCHEMBL8328348

CCOC(=O)C1CCc2cc3ccccn3c2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL3150589 0.91 ATM (0.45) ATML3MBTL1HTTKDM4EALDH1A1
SCHEMBL8447698 0.81 TBXAS1 (0.36) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL30437453 0.76 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL3630406 0.76 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ANPSR1
SCHEMBL9384846 0.74 SLC18A3 (0.36) ATML3MBTL1HTTMEN1KMT2A
SCHEMBL9382269 0.74 L3MBTL1 (0.34) ATML3MBTL1HTTKDM4EALDH1A1
SCHEMBL9429930 0.73 HTT (0.44) ATML3MBTL1HTTKDM4EALDH1A1
SCHEMBL3156050 0.71 HTT (0.44) ATML3MBTL1HTTKDM4EALDH1A1
SCHEMBL9430322 0.70 HTT (0.41) ATML3MBTL1HTTKDM4EALDH1A1
SCHEMBL9385160 0.69 L3MBTL1 (0.34) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0470490-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1992-02-12 EP disclosed