SCHEMBL5457232

SCHEMBL5457232

COc1cc2ccccc2c(OC)c1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NQO1 P15559 1/20 0.42
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
ERN1 O75460 1/20 0.41
NPC1 O15118 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
MAPK1 P28482 1/20 0.39
TUBB4A P04350 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
SCHEMBL14533952 0.83 ALDH1A1 (0.41) ALDH1A1NPSR1SMN1; SMN2KDM4EHPGD
SCHEMBL1853503 0.78 SLC40A1 (0.52) MAPTNPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL5457231 0.77 CNR2 (0.46) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1
SCHEMBL2889415 0.77 MAOA (0.58) ALDH1A1MAPTNPSR1SMN1; SMN2NQO1
SCHEMBL16060138 0.76 MAPT (0.50) ALDH1A1MAPTNPSR1NQO1KDM4E
SCHEMBL3731388 0.76 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL27423013 0.75 MAOA (0.56) ALDH1A1MAPTNPSR1SMN1; SMN2NQO1
SCHEMBL8865515 0.75 CYP1A2 (0.52) ALDH1A1HPGDALOX5MAPK1ADORA2A
SCHEMBL29428421 0.74 MAPT (0.51) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1
SCHEMBL2698582 0.74 MAPT (0.51) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1

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