SCHEMBL21828697

SCHEMBL21828697

Nc1ccc2[nH]c3ccc(S(=O)(=O)CCCO)cc3c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 9/20 0.46
▸ POLB P06746 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ NGFR P08138 1/20 0.38
▸ BRAF P15056 2/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ LOX P28300 1/20 0.36
▸ AR P10275 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL21889674 0.83 CDK1 (0.34) POLBCA12CA9CDK1CDK2
SCHEMBL21828656 0.81 CTSV (0.55) POLBCA12CA9CDK1CDK2
SCHEMBL5342370 0.75 PARP1 (0.58) POLBCA12CA9NGFRPARP1
SCHEMBL24067969 0.75 BRD4 (0.38) CA2POLBBRAFMEN1KMT2A
SCHEMBL9810736 0.74 CA2 (0.72) CA2CA12CA9LOXGAA
SCHEMBL18422725 0.74 KDM4E (0.50) CA2POLBPARP1
SCHEMBL21889572 0.73 CA12 (0.38) POLBCA12CA9NGFRPARP1
SCHEMBL25791861 0.72 PARP1 (0.55) POLBCA12CA9NGFRPARP1
SCHEMBL23458203 0.70 POLB (0.47) CA2POLBGAAKMT2A
SCHEMBL29862950 0.70 POLB (0.47) CA2POLBGAAKMT2A

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
US-20210373028-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior GmbH (DE) 2021-12-02 — — US disclosed
EP-3861073-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior Instruments GmbH (DE) 2021-08-11 — — EP disclosed
WO-2020069945-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior GmbH (DE) 2020-04-09 — — WO disclosed
WO-2020069945-A1 NOVEL FLUORESCENCE DYES AND NOVEL ANALYTICAL PROCESSES FOR GLYCAN ANALYSIS Abberior GmbH (DE) 2020-04-09 — — WO disclosed
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