SCHEMBL5478449

SCHEMBL5478449

Cc1ccccc1-c1c(O)cc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.46
TRPM4 Q8TD43 1/20 0.46
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2A6 P11509 2/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
DAO P14920 1/20 0.39
DDO Q99489 1/20 0.39
BCL2L1 Q07817 1/20 0.39
TLR8 Q9NR97 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.37

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
SCHEMBL12023089 0.78 TRPM4 (0.44) NQO1TRPM4LMNAHTTPTPN22
SCHEMBL15485758 0.77 NQO1 (0.50) NQO1TRPM4LMNAHTTPTPN22
SCHEMBL8865515 0.77 CYP1A2 (0.52) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL25485142 0.77 NQO1 (0.44) NQO1TRPM4LMNAHTTCYP1A2
SCHEMBL28436429 0.77 ALDH1A1 (0.44) NQO1TRPM4LMNAHTTPTPN22
SCHEMBL1852309 0.76 CCR1 (0.47) LMNAHTTKDM4ETP53PKM
SCHEMBL18685785 0.75 NSD2 (0.54) PTPN22CYP1A2CYP2A6ALDH1A1HPGD
SCHEMBL24211866 0.74 GPR84 (0.47) NQO1TRPM4PTPN22ALDH1A1HPGD
SCHEMBL460619 0.74 TRPM4 (0.52) NQO1TRPM4PTPN22CYP1A2NQO2
SCHEMBL9742287 0.74 MCL1 (0.50) NQO1LMNACYP1A2NQO2ALDH1A1

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 6 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
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