SCHEMBL16183139

SCHEMBL16183139

CCn1c2ccccc2c2cc(/C=C/c3ccc4ccccc4[n+]3CCCCS(=O)(=O)O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.62
▸ ACHE P22303 3/20 0.62
▸ POLB P06746 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ SRC P12931 2/20 0.39
▸ APP P05067 2/20 0.39
▸ ALDH1A1 P00352 6/20 0.38
▸ SMN1; SMN2 Q16637 6/20 0.38
▸ LMNA P02545 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ MAPT P10636 3/20 0.38
▸ PPARG P37231 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ NCOA2 Q15596 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38

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
SCHEMBL20380420 0.91 BCHE (0.62) BCHEACHEPOLBKDM4EHTT
SCHEMBL16091912 0.83 KDM4E (0.48) BCHEACHEPOLBKDM4EHTT
SCHEMBL16183130 0.82 POLB (0.49) BCHEACHEPOLBKDM4EHTT
SCHEMBL16091909 0.81 APP (0.54) BCHEACHEPOLBKDM4EHTT
SCHEMBL29804003 0.81 BCHE (0.55) BCHEACHEPOLBKDM4EHTT
SCHEMBL18105118 0.79 KMT2A (0.45) ACHEPOLBKDM4EHTTPKM
SCHEMBL29389253 0.78 ACHE (0.98) BCHEACHEPOLBKDM4EHTT
SCHEMBL20380843 0.78 ACHE (0.98) BCHEACHEPOLBKDM4EHTT
SCHEMBL16183115 0.74 INSR (0.49) BCHEACHEPOLBHTTPKM
SCHEMBL1105748 0.74 LMNA (0.43) BCHEACHEPOLBKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315190-A1 METHODS FOR DYE SELECTION FOR PROTEIN MELT TEMPERATURE DETERMINATIONS Life Technologies Corporation 2014-10-23 — — US disclosed
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