SCHEMBL11022702

SCHEMBL11022702

O=C(O)Oc1cnc(Cl)nc1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 10/20 0.37
JUN P05412 4/20 0.37
NFKB2 Q00653 4/20 0.37
RELA Q04206 4/20 0.37
PIN1 Q13526 3/20 0.35
XPO1 O14980 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ATF1 P18846 7/20 0.33
LMNA P02545 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL7087131 0.85 NFKB1 (0.37) NFKB1JUNNFKB2RELAPIN1
SCHEMBL27934605 0.83 KDM4E (0.40) NFKB1JUNNFKB2RELAPIN1
SCHEMBL10695297 0.81 NTRK1 (0.36) SMN1; SMN2KDM4EALDH1A1
SCHEMBL3129046 0.78 XPO1 (0.48) NFKB1JUNNFKB2RELAXPO1
SCHEMBL10354639 0.76 MAPT (0.46) SMN1; SMN2ALDH1A1LMNA
SCHEMBL655371 0.75 LMNA (0.42) NFKB1JUNNFKB2RELALMNA
SCHEMBL5768703 0.75 NFKB1 (0.37) NFKB1JUNNFKB2RELAXPO1
SCHEMBL655370 0.74 TSHR (0.45) NFKB1JUNNFKB2RELAPIN1
SCHEMBL721758 0.74 KEAP1 (0.47) NFKB1JUNNFKB2RELAPIN1
Hydrochloric Acid SCHEMBL7754141 0.72 KEAP1 (0.46) NFKB1JUNNFKB2RELAPIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0071168-B1 WATER-SOLUBLE DISAZO COMPOUNDS AND BIS-(AMINO-PHENOXY)-ETHANE COMPOUNDS WITH FIBRE REACTIVE GROUPS AS TETRAZO COMPOUNDS, PROCESS FOR THE PREPARATION OF THESE COMPOUNDS AND THE USE OF THE DISAZO COMPOUNDS AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1985-01-30 EP disclosed
EP-0071168-A2 Water-soluble disazo compounds and bis-(amino-phenoxy)-ethane compounds with fibre reactive groups as tetrazo compounds, process for the preparation of these compounds and the use of the disazo compounds as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-09 EP disclosed
EP-0047863-A2 Reactive phthalocyanine hyes, process for their preparation and their use in dyeing materials containing hydroxyle groups and/or nitrogen BAYER AG (DE) 1982-03-24 EP disclosed
EP-0013378-A1 Process for the production of reserve effects on polyester-cellulose blended textile materials CASSELLA Aktiengesellschaft (DE) 1980-07-23 EP disclosed