SCHEMBL10900784

SCHEMBL10900784

O=[N+]([O-])c1ccc(OCC#CC#CCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PTGS2 P35354 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HSPB1 P04792 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.45
MAOB P27338 2/20 0.45
AOC3 Q16853 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10914642 0.92 PTGS2 (0.44) LMNAPTGS2CA1CA2KCNH2
SCHEMBL29557072 0.86 PTGS2 (0.51) LMNAPTGS2KCNH2ALDH1A1MAPT
SCHEMBL15863990 0.86 LMNA (0.47) LMNAPTGS2CA1CA2CA9
SCHEMBL10900505 0.85 ALDH1A1 (0.50) LMNAPTGS2HSPB1ALDH1A1MAPT
SCHEMBL13001582 0.84 PTGS2 (0.46) LMNAPTGS2CA1CA2ALDH1A1
SCHEMBL14085294 0.84 PTGS2 (0.54) LMNAPTGS2CA1CA2KCNH2
SCHEMBL17188575 0.84 MAOB (0.49) LMNAPTGS2CA1CA2CA9
SCHEMBL2641474 0.83 LMNA (0.51) LMNAPTGS2CA1CA2CA9
SCHEMBL2061312 0.81 KCNH2 (0.52) LMNAPTGS2CA1CA2CA9
SCHEMBL255260 0.81 SNCA (0.58) LMNAPTGS2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4581315-A COATING SUBSTRATE WITH IRRADIATION POLYMERIZABLE DIACETYLINIC CONJUGATED MATERIAL UNIVERSITY PATENTS, INC. (US) 1986-04-08 US disclosed
EP-0077577-B1 PHOTOGRAPHIC ARTICLES COMPRISING A COMPOUND HAVING ACETYLENIC BONDS AND METHODS FOR PRODUCING THE ARTICLES UNIVERSITY PATENTS, INC. (US) 1985-12-04 EP disclosed
EP-0022618-B1 PHOTOGRAPHIC OR PHOTOLITHOGRAPHIC ARTICLE AND METHOD OF FORMING A PHOTORESIST UNIVERSITY PATENTS, INC. (US) 1985-12-04 EP disclosed
US-4439514-A Photoresistive compositions UNIVERSITY PATENTS, INC. (US) 1984-03-27 US disclosed
EP-0077577-A2 Photographic articles comprising a compound having acetylenic bonds and methods for producing the articles UNIVERSITY PATENTS, INC. (US) 1983-04-27 EP disclosed
EP-0022618-A2 Photographic or photolithographic article and method of forming a photoresist UNIVERSITY PATENTS, INC. (US) 1981-01-21 EP disclosed