SCHEMBL11602969

SCHEMBL11602969

CCCNc1cccc(NS(=O)(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 2/20 0.45
▸ PTPN1 P18031 1/20 0.43
▸ TRPA1 O75762 3/20 0.43
▸ MAPT P10636 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ F2R P25116 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37

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
SCHEMBL6051980 0.82 PTPN1 (0.51) PTPRBPTPN1HTTALDH1A1SMN1; SMN2
SCHEMBL18893560 0.75 CA1 (0.43) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11810489 0.74 MAPT (0.50) TRPA1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL11569941 0.74 NR3C1 (0.47) PTPRBPTPN1CYP3A4HTTALDH1A1
SCHEMBL12765058 0.73 CA2 (0.59) —
SCHEMBL4410502 0.73 MAPT (0.51) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4424661 0.73 ALDH1A1 (0.48) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4973943 0.73 MAPT (0.48) TRPA1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL31539189 0.73 HPGD (0.54) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27278148 0.73 HPGD (0.54) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3954398-A Polyester fibers dyed with a disazo disperse dyestuff CIBA-GEIGY AG (CH) 1976-05-04 — — 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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