SCHEMBL11440304

SCHEMBL11440304

Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ LMNA P02545 1/20 0.48
▸ GPR35 Q9HC97 5/20 0.47
▸ HTT P42858 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA2 P00918 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ MAPK1 P28482 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TTR P02766 1/20 0.39

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
SCHEMBL11441297 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL6935992 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL9877593 0.79 CA2 (0.51) ALDH1A1CYP3A4LMNAHTTPOLB
SCHEMBL5713455 0.79 ALDH1A1 (0.61) ALDH1A1CYP3A4GPR35HTTCA2
SCHEMBL2960533 0.76 ALDH1A1 (0.56) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL10577811 0.75 HTT (0.56) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL266593 0.73 ALDH1A1 (0.76) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL10955111 0.73 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35POLBCA2
SCHEMBL11676104 0.73 ALDH1A1 (0.55) ALDH1A1CYP3A4LMNAGPR35HTT
SCHEMBL11444918 0.73 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNAGPR35HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4236007-A YELLOW SHADES ON POLYESTERS CIBA-GEIGY AKTIENGESELLSCHAFT (CH) 1980-11-25 — — US disclosed
US-4179435-A SULPHONIC ACID-FREE CIBA-GEIGY CORPORATION (US) 1979-12-18 — — US disclosed
US-4148805-A POLYESTERS, RED, YELLLOW CIBA-GEIGY AG (CH) 1979-04-10 — — US disclosed
US-4115381-A FOR POLYESTER FIBERS CIBA-GEIGY CORPORATION (US) 1978-09-19 — — US disclosed
US-RE29585-E DYEING WOOL CIBA-GEIGY CORPORATION (US) 1978-03-21 — — US disclosed
US-4067864-A FOR CELLULOSE OR POLYAMIDES CIBA-GEIGY AG (CH) 1978-01-10 — — 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-3971738-A Heavy metal complexes of azo compounds containing a halogeno-2,3-dihydroxy pyridine coupling component 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-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 — — US disclosed
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