SCHEMBL8083005

SCHEMBL8083005

COc1cc(Oc2ccccc2)c(OC)cc1[N+]#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.49
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 2/20 0.44
CHRNA7 P36544 2/20 0.40
CA4 P22748 1/20 0.40
NTRK1 P04629 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
NTRK2 Q16620 1/20 0.40
KYAT3 Q6YP21 1/20 0.39
AADAT Q8N5Z0 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 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
Hydrochloric Acid SCHEMBL11745983 0.82 AR (0.53) ALDH1A1MAPK1HTTL3MBTL1AR
Hydrochloric Acid SCHEMBL3798277 0.79 LTA4H (0.46) ALDH1A1L3MBTL1LTA4HNTRK1NTRK2
Sulfuric Acid SCHEMBL3800616 0.77 AR (0.48) ALDH1A1MAPK1HTTL3MBTL1MEN1
Sulfuric Acid SCHEMBL3800614 0.77 HTT (0.51) ALDH1A1HTTL3MBTL1MEN1LMNA
SCHEMBL11692589 0.76 TTR (0.53) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL14588709 0.75 LTA4H (0.48) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL6291051 0.75 TSHR (0.46) ALDH1A1MAPK1HTTL3MBTL1LTA4H
Sulfuric Acid SCHEMBL5676621 0.74 LTA4H (0.41) ALDH1A1L3MBTL1LTA4HNTRK1NTRK2
Nitrogen SCHEMBL11336114 0.73 CA12 (0.61) TTRALDH1A1MAPK1HTTL3MBTL1
SCHEMBL791852 0.72 HTT (0.86) TTRALDH1A1MAPK1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0679635-B1 Aromatic diazonium salts and their use in radiation-sensitive compositions AGFA GEVAERT NV (BE) 2000-09-27 EP disclosed
US-5776652-A Aromatic hexafluoropropanesulfonate diazonium salts and their use in radiation-sensitive mixtures AGFA-GEVAERT AG (DE) 1998-07-07 US disclosed
EP-0679635-A1 Aromatic diazonium salts and their use in radiation-sensitive compositions HOECHST AKTIENGESELLSCHAFT (DE) 1995-11-02 EP disclosed
US-4299906-A Light-sensitive color proofing film with surfactant in a light-sensitive coating AMERICAN HOECHST CORPORATION (US) 1981-11-10 US disclosed
US-4157918-A PROOF SHEET CONTAINING DIAZO MATERIAL AND COPOLYESTER ADHESION PROMOTER AMERICAN HOECHST CORPORATION (US) 1979-06-12 US disclosed