SCHEMBL11569941

SCHEMBL11569941

CCCCN(CCCC)c1cccc(NS(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.47
▸ PTPRB P23467 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ HDAC1 Q13547 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
SCHEMBL5613394 0.78 POLB (0.53) HDAC6ALDH1A1POLBMEN1KMT2A
SCHEMBL28974174 0.78 NR3C1 (0.65) NR3C1ALDH1A1POLBCYP3A4LMNA
SCHEMBL30280484 0.78 NR3C1 (0.65) NR3C1ALDH1A1POLBCYP3A4LMNA
SCHEMBL9397746 0.78 TDP1 (0.45) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL11694230 0.77 HDAC6 (0.39) NR3C1HDAC6ALDH1A1KDM4EPOLB
SCHEMBL9181821 0.77 TDP1 (0.44) ALDH1A1KDM4EPOLBGAAMEN1
SCHEMBL8664260 0.76 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBGAAMEN1
Butyramide SCHEMBL28820280 0.76 NR3C1 (0.49) NR3C1HDAC6ALDH1A1POLBCA12
SCHEMBL11690843 0.75 ALDH1A1 (0.47) HDAC6ALDH1A1KDM4EPOLBGAA
SCHEMBL653527 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4179435-A SULPHONIC ACID-FREE CIBA-GEIGY CORPORATION (US) 1979-12-18 — — US disclosed
US-4115381-A FOR POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
US-4083688-A DISPERSE DYES CIBA-GEIGY AG (CH) 1978-04-11 — — US disclosed
US-4039523-A YELLOW CIBA-GEIGY AG (CH) 1977-08-02 — — US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 — — US disclosed
US-4017477-A 3-Halogeno-6-hydroxy-pyridone-(2) azo dyestuffs CIBA-GEIGY AG (CH) 1977-04-12 — — US disclosed
US-4014864-A POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1977-03-29 — — US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 — — US disclosed
US-3964862-A Process for dyeing and printing textile materials of synthetic organic fibers CIBA-GEIGY AG (CH) 1976-06-22 — — US disclosed
US-3954398-A Polyester fibers dyed with a disazo disperse dyestuff CIBA-GEIGY AG (CH) 1976-05-04 — — US disclosed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 — — US disclosed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 — — US disclosed
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