SCHEMBL11024486

SCHEMBL11024486

CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ S1PR4 O95977 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ TBXA2R P21731 7/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CYP19A1 P11511 2/20 0.44
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL11451900 0.86 S1PR4 (0.53) LMNAS1PR4RAB9AMEN1KMT2A
SCHEMBL11773684 0.86 MAPK1 (0.47) LMNAS1PR4RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL10892666 0.85 ALOX15 (0.50) LMNAS1PR4RAB9AMEN1KMT2A
SCHEMBL8576116 0.84 GUSB (0.49) LMNATBXA2RMEN1KMT2ACA1
SCHEMBL11595542 0.83 CA1 (0.52) LMNAS1PR4RAB9AMEN1KMT2A
SCHEMBL11068177 0.83 ALDH1A1 (0.48) LMNAS1PR4RAB9AMEN1KMT2A
SCHEMBL27408323 0.80 TBXA2R (0.48) LMNATBXA2RALDH1A1SMN1; SMN2CA12
SCHEMBL4091384 0.80 ALDH1A1 (0.64) LMNARAB9AMEN1KMT2ACA1
SCHEMBL11026334 0.78 MAPT (0.54) LMNAMEN1KMT2ACA1CA2
SCHEMBL11294647 0.78 CA9 (0.59) LMNAS1PR4RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0062200-B1 DISAZO DYESTUFFS BASF Aktiengesellschaft (DE) 1985-01-23 — — EP disclosed
US-4424155-A 3-AMINO-1,2,4-OXADIAZOL-5-YL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 — — US disclosed
EP-0062200-A1 Disazo dyestuffs BASF Aktiengesellschaft (DE) 1982-10-13 — — EP disclosed
EP-0037465-A2 Amino azo compounds BASF Aktiengesellschaft (DE) 1981-10-14 — — EP disclosed
EP-0023770-A1 Cationic pyridone azo dyestuffs, certain novel coupling components from which they are derived and processes for the manufacture of the dyestuffs and the coupling components IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 — — EP disclosed
US-4217271-A Basic azo dyestuffs containing a n-picolinium alkylene amino phenyl group IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 — — US disclosed
US-4160643-A FOR POLYMERS OF ACRYLONITRILE IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-07-10 — — US disclosed
US-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 — — US disclosed
US-4134723-A DYEING AROMATIC POLYESTER/POLYAMIDE OR AROMATIC POLYESTER/CELLULOSE BLENDS WITH DISPERSE MONOAZO DYE, ALKALINE BATH IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-01-16 — — US disclosed
US-4113720-A Disperse azo dye with diaminopyrimidine coupling component BASF AKTIENGESELLSCHAFT (DE) 1978-09-12 — — US disclosed
US-4042578-A POLYESTERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-08-16 — — US disclosed
US-4016152-A SUITABLE FOR DYEING POLYESTERS BASF AKTIENGESELLSCHAFT (DT) 1977-04-05 — — US disclosed
US-3974123-A Dyes for thermoplastics BASF AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
Send feedback