SCHEMBL12809945

SCHEMBL12809945

COc1cc2ccccc2c2c1C(C)CC(C)(C)N2C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ NQO1 P15559 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ BRCA1 P38398 1/20 0.34
▸ HNF4A P41235 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ RAD52 P43351 1/20 0.33
▸ AVPR2 P30518 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL12809944 0.82 TRPM4 (0.37) MAPTALDH1A1NPSR1SMN1; SMN2HIF1A
SCHEMBL1408900 0.71 MAPT (0.39) MAPTALDH1A1NPSR1NQO1TP53
SCHEMBL1408342 0.66 MAPT (0.37) MAPTALDH1A1NPSR1NQO1TP53
SCHEMBL12809939 0.63 TRPM4 (0.37) MAPTALDH1A1NPSR1SMN1; SMN2HIF1A
SCHEMBL12647693 0.63 KDM4E (0.43) MAPTALDH1A1NPSR1NQO1SMN1; SMN2
SCHEMBL1408738 0.63 MEN1 (0.39) MAPTALDH1A1NPSR1NQO1TDP1
SCHEMBL12809653 0.62 ALDH1A1 (0.53) MAPTALDH1A1NPSR1NQO1
SCHEMBL17065823 0.62 NPSR1 (0.44) MAPTALDH1A1NPSR1NQO1CYP1A2
SCHEMBL9040694 0.62 ALDH1A1 (0.60) MAPTALDH1A1NPSR1NQO1TP53
SCHEMBL1128095 0.61 NQO1 (0.56) MAPTALDH1A1NPSR1NQO1TP53

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-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-2221347-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-08-25 — — EP disclosed
EP-2179996-A1 Sulfonated diarylrhodamine dyes Applera Corporation (US) 2010-04-28 — — EP disclosed
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