SCHEMBL12809653

SCHEMBL12809653

COc1cc2ccccc2c2c1CCCN2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ STAT6 P42226 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TNKS O95271 1/20 0.36

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
SCHEMBL12647427 0.79 TRPM4 (0.41) ALDH1A1MAPTNPSR1DRD2DRD1
SCHEMBL12647417 0.70 MAPT (0.55) ALDH1A1MAPTNPSR1DRD2NQO1
SCHEMBL1408900 0.70 MAPT (0.39) ALDH1A1MAPTNPSR1NQO1HPGD
SCHEMBL17065823 0.69 NPSR1 (0.44) ALDH1A1MAPTNPSR1NQO1KDM4E
SCHEMBL10994906 0.68 MEN1 (0.46) ALDH1A1MAPTNPSR1KDM4ESTAT6
SCHEMBL13786368 0.67 ADRA1A (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL26618698 0.66 NOTUM (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL14852694 0.66 HTR2C (0.50) DRD2DRD1DRD4DRD5DRD3
SCHEMBL10688865 0.66 KDM4E (0.37) KDM4EHPGDMEN1KMT2ALMNA
SCHEMBL1408374 0.66 MAPT (0.50) ALDH1A1MAPTNPSR1NQO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034221-B1 DIBENZORHODAMINE DYES USEFUL AS FLUORESCENT LABELLING AGENTS LIFE TECHNOLOGIES CORP (US) 2014-05-14 — — EP disclosed
EP-2295503-A1 Dibenzorhodamine dyes useful as fluorescent labelling agents Applera Corporation (US) 2011-03-16 — — EP disclosed
US-7833756-B2 Methods of labelling polynucleotides with dibenzorhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-16 — — US disclosed
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 — — EP disclosed
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