SCHEMBL24067989

SCHEMBL24067989

CCCCOP(=O)(OCCCC)OCCCS(=O)(=O)c1ccc2[nH]c3ccc([N+](=O)[O-])cc3c(=O)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.50
▸ CTSL P07711 4/20 0.50
▸ KCNH2 Q12809 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PARP1 P09874 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
SCHEMBL21890308 0.80 CTSV (0.49) CTSVCTSLKCNH2ALDH1A1MAPT
SCHEMBL21828656 0.79 CTSV (0.55) CTSVCTSLKCNH2ALDH1A1MAPT
SCHEMBL24067985 0.75 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL21889674 0.72 CDK1 (0.34) MEN1KMT2APOLBTDP1CA12
SCHEMBL12758175 0.71 CTSV (0.60) CTSVCTSLKCNH2ALDH1A1MAPT
SCHEMBL29519535 0.70 CTSV (0.65) CTSVCTSLKCNH2ALDH1A1MAPT
SCHEMBL10068097 0.70 CTSV (0.65) CTSVCTSLKCNH2ALDH1A1MAPT
SCHEMBL24067969 0.69 BRD4 (0.38) KCNH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15060955 0.66 MAPT (0.50) KCNH2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4161667 0.65 KMT2A (0.58) ALDH1A1MAPTMEN1KMT2ALMNA

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-20210373028-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior GmbH (DE) 2021-12-02 — — US disclosed
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