SCHEMBL10325407

SCHEMBL10325407

c1cc[n+](Cc2ccc(C[n+]3ccccc3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.64
BCHE P06276 2/20 0.64
CHKA P35790 10/20 0.52
LMNA P02545 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44

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
Bromide SCHEMBL2831425 0.97 ACHE (0.68) ACHEBCHECHKALMNAALDH1A1
Hydrochloric Acid SCHEMBL11637202 0.97 ACHE (0.61) ACHEBCHECHKALMNAALDH1A1
SCHEMBL93665 0.92 CHKA (0.59) ACHEBCHECHKALMNAALDH1A1
Hydrochloric Acid SCHEMBL636283 0.89 LMNA (0.63) ACHEBCHECHKALMNAALDH1A1
Bromide SCHEMBL28611338 0.89 CHKA (0.61) ACHEBCHECHKALMNAALDH1A1
Bromide SCHEMBL365151 0.89 CHKA (0.61) ACHEBCHECHKALMNAALDH1A1
Hydrochloric Acid SCHEMBL30164362 0.89 CHKA (0.57) ACHEBCHECHKALMNAALDH1A1
SCHEMBL28628612 0.89 CHKA (0.57) ACHEBCHECHKALMNAALDH1A1
SCHEMBL11731502 0.88 CHKA (0.55) ACHEBCHECHKALMNAALDH1A1
SCHEMBL367939 0.88 ALDH1A1 (0.63) ACHEBCHECHKALMNAALDH1A1

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
US-8216771-B2 Method for making a lithographic printing plate AGFA GRAPHICS NV (BE) 2012-07-10 US disclosed
EP-1834803-B1 Method for making a lithographic printing plate AGFA GRAPHICS NV (BE) 2011-07-27 EP disclosed
US-20090081583-A1 METHOD FOR MAKING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2009-03-26 US disclosed
WO-2007107494-A1 METHOD FOR MAKING A LITHOGRAPHIC PRINTING PLATE AGFA GRAPHICS NV (BE) 2007-09-27 WO disclosed
EP-1834803-A1 Method for making a lithographic printing plate Agfa Graphics N.V. (BE) 2007-09-19 EP disclosed