SCHEMBL21828656

SCHEMBL21828656

O=c1c2cc([N+](=O)[O-])ccc2[nH]c2ccc(S(=O)(=O)CCCO)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 4/20 0.55
▸ CTSL P07711 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ CA12 O43570 2/20 0.45
▸ CA9 Q16790 2/20 0.45
▸ PARP1 P09874 1/20 0.43
▸ PKM P14618 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPY1R P25929 1/20 0.41
▸ NPY2R P49146 1/20 0.41

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
SCHEMBL21828697 0.81 CA2 (0.46) MEN1KMT2ACA12CA9PARP1
SCHEMBL29519535 0.81 CTSV (0.65) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL10068097 0.81 CTSV (0.65) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL24067989 0.79 CTSV (0.50) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL21828698 0.76 CTSV (0.55) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL21889676 0.75 CTSV (0.54) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL28121364 0.75 KMT2A (0.58) ALDH1A1MEN1KMT2ALMNACA12
SCHEMBL29519210 0.72 CTSV (1.00) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL21828651 0.72 CTSV (1.00) CTSVCTSLALDH1A1MEN1KMT2A
SCHEMBL23458107 0.72 SMN1; SMN2 (0.53) ALDH1A1KMT2ALMNAPKMPOLB

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 3 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
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