SCHEMBL8447698

SCHEMBL8447698

O=C(O)C1CCc2cc3ccccn3c2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NOTUM Q6P988 1/20 0.35
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
SLC6A1 P30531 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL8452787 0.89 TBXAS1 (0.36) TBXAS1SMN1; SMN2RAB9AKDM4ENOTUM
SCHEMBL8328348 0.81 ATM (0.45) SMN1; SMN2KDM4EL3MBTL1
SCHEMBL13279285 0.80 MTNR1A (0.43) SMN1; SMN2RAB9AKDM4EL3MBTL1MAPT
SCHEMBL8325790 0.78 MEN1 (0.38) SMN1; SMN2RAB9AKDM4ECYP1A2L3MBTL1
SCHEMBL8454692 0.76 ALDH1A1 (0.34) SMN1; SMN2RAB9AKDM4ECYP1A2L3MBTL1
SCHEMBL231853 0.76 PLAU (0.49) KDM4EMAPT
SCHEMBL9382269 0.76 L3MBTL1 (0.34) SMN1; SMN2RAB9AKDM4ECYP1A2L3MBTL1
SCHEMBL9385160 0.73 L3MBTL1 (0.34) RAB9AL3MBTL1NPC1MAPTAKR1C3
SCHEMBL9384846 0.71 SLC18A3 (0.36) L3MBTL1MAPT
SCHEMBL8449850 0.71 DGAT1 (0.45) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624586-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-09-01 EP disclosed
EP-0624586-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1994-11-17 EP disclosed