SCHEMBL8943690

SCHEMBL8943690

COc1ccc(N(c2ccc(C#Cc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.61
KCNH2 Q12809 1/20 0.52
MCHR1 Q99705 3/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ADK P55263 1/20 0.44
ACACB O00763 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
SLC2A1 P11166 1/20 0.42
ACHE P22303 1/20 0.41

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
SCHEMBL22954305 1.00 APP (0.61) APPKCNH2MCHR1CA12CA1
SCHEMBL8943856 0.92 ACHE (0.56) APPKCNH2MCHR1CA12CA1
SCHEMBL8943913 0.92 APP (0.53) APPKCNH2MCHR1ADK
SCHEMBL8944277 0.92 APP (0.53) APPKCNH2MCHR1MMP2
SCHEMBL17722747 0.92 APP (0.52) APPKCNH2MCHR1CA12CA1
SCHEMBL14163998 0.88 APP (0.49) APPKCNH2MCHR1CA12CA1
SCHEMBL14163999 0.86 APP (0.47) APPKCNH2MCHR1CA12CA1
SCHEMBL14163996 0.86 L3MBTL1 (0.52) APPKCNH2MCHR1ADK
SCHEMBL674764 0.86 APP (0.77) APPKCNH2MCHR1CA12CA1
SCHEMBL10300057 0.86 APP (0.77) APPKCNH2MCHR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed