SCHEMBL4024254

SCHEMBL4024254

O=C(NC1CCC1)c1cc2ccccc2n1-c1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
RAB9A P51151 5/20 0.46
F10 P00742 3/20 0.46
NPC1 O15118 4/20 0.45
PDE4B Q07343 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTT P42858 1/20 0.40
RECQL P46063 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
SCHEMBL4020602 0.78 NR4A2 (0.50) RAB9AALDH1A1HTT
SCHEMBL27859101 0.69 ALDH1A1 (0.40) RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL26414747 0.69 RAB9A (0.76) RAB9ANPC1KDM4EALDH1A1HPGD
SCHEMBL25269858 0.69 CNR2 (0.61) CNR2RAB9ANPC1KDM4EHSD17B10
SCHEMBL2276515 0.68 CHRNA7 (0.61) CNR2RAB9ANPC1KDM4EHSD17B10
SCHEMBL25017939 0.67 SMYD3 (0.43) CNR2F10KDM4EHSD17B10
SCHEMBL28585751 0.67 SMYD3 (0.43) CNR2F10KDM4EHSD17B10
SCHEMBL19924468 0.66 CA12 (0.41) KDM4EALDH1A1HPGD
SCHEMBL75198 0.65 MLLT1 (0.65) CNR2RAB9ANPC1KDM4EHSD17B10
SCHEMBL19691326 0.65 CNR2 (0.53) CNR2RAB9AF10NPC1KDM4E

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-2066318-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-Roche AG (CH) 2009-06-10 EP disclosed
WO-2008034736-A2 OXINDOLE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-03-27 WO disclosed