SCHEMBL5459904

SCHEMBL5459904

COc1ccc(-c2ccccc2)c(OC)c1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 1/20 0.43
DUSP3 P51452 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
POLB P06746 2/20 0.39
HTT P42858 1/20 0.39
S1PR1 P21453 2/20 0.38

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
SCHEMBL5455538 0.84 CYP11B1 (0.50) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1851588 0.79 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL5460185 0.79 KDM4E (0.44) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL5459902 0.78 CNR2 (0.47) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL13744810 0.78 TP53 (0.51) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL14176639 0.77 SCN8A (0.45) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL4579619 0.77 HDAC4 (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL29788008 0.77 HDAC4 (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL13685138 0.76 FGFR1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL5461155 0.75 ALDH1A1 (0.50) RAB9ASMN1; SMN2KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39663-E1 Electron-deficient nitrogen heterocycle-substituted fluorescein dyes APPLERA CORPORATION (US) 2007-05-29 US disclosed
EP-1196640-B1 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORP (US) 2004-02-04 EP disclosed
EP-1196640-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES Applera Corporation (US) 2002-04-17 EP disclosed
WO-2001057264-A2 ELECTRON-DEFICIENT NITROGEN HETEROCYCLE-SUBSTITUTED FLUORESCEIN DYES APPLERA CORPORATION (US) 2001-08-09 WO disclosed
US-6221604-B1 CONJUGATED TO SUBSTRATES SUCH AS NUCLEOSIDES OR NUCLEOTIDES AND USED AS DETECTION LABELS IN MOLECULAR BIOLOGY EXPERIMENTS; ENERGY TRANSFER DYE PE CORPORATION 2001-04-24 US disclosed