SCHEMBL12809947

SCHEMBL12809947

COc1cc2ccccc2c2c1C(C)(C)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ MAPT P10636 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HNF4A P41235 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ APAF1 O14727 1/20 0.37
▸ TDP2 O95551 1/20 0.37
▸ CDC25B P30305 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
SCHEMBL24774791 0.74 KDM4E (0.44) ALDH1A1MAPTABCG2SMN1; SMN2RAB9A
SCHEMBL29922149 0.74 KDM4E (0.44) ALDH1A1MAPTABCG2SMN1; SMN2RAB9A
SCHEMBL1408679 0.73 MAPT (0.39) ALDH1A1MAPTNPSR1THRBABCG2
SCHEMBL12809648 0.69 PGR (0.39) ALDH1A1MAPTNPSR1SMN1; SMN2MEN1
SCHEMBL10828347 0.68 PDK2 (0.57) ALDH1A1MAPTKMT2A
SCHEMBL6370043 0.67 GPR84 (0.58) ALDH1A1MAPTNPSR1THRBABCG2
SCHEMBL2266645 0.66 KMT2A (0.49) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1128095 0.66 NQO1 (0.56) ALDH1A1MAPTNPSR1NQO1SMN1; SMN2
SCHEMBL7479441 0.66 CA1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13352353 0.66 PGR (0.42) ALDH1A1MAPTNPSR1NQO1MEN1

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
EP-2186801-A2 Intermediates for synthesizing dibenzorhodamine dyes Applera Corporation (US) 2010-05-19 — — EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 — — EP disclosed
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