SCHEMBL8944277

SCHEMBL8944277

COc1ccc(N(c2ccc(C#Cc3ccccc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
KCNH2 Q12809 1/20 0.50
CA4 P22748 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
NLRP3 Q96P20 1/20 0.46
MCHR1 Q99705 1/20 0.46
LTA4H P09960 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
FFAR1 O14842 1/20 0.43
PTGES O14684 1/20 0.42
TRPA1 O75762 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
SCHEMBL8943913 0.96 APP (0.53) APPKCNH2CA4MEN1NPC1
SCHEMBL22954305 0.92 APP (0.61) APPKCNH2MCHR1MMP2
SCHEMBL8943690 0.92 APP (0.61) APPKCNH2MCHR1MMP2
SCHEMBL5552160 0.88 APP (0.65) APPKCNH2CA4MEN1NPC1
SCHEMBL14163996 0.86 L3MBTL1 (0.52) APPKCNH2MCHR1L3MBTL1
SCHEMBL9715656 0.86 APP (0.63) APPKCNH2CA4MEN1NPC1
SCHEMBL8943856 0.85 ACHE (0.56) APPKCNH2NPC1RAB9AKMT2A
SCHEMBL17722747 0.85 APP (0.52) APPKCNH2MCHR1MMP2
SCHEMBL13720596 0.84 CA4 (0.59) CA4KMT2ALTA4HL3MBTL1TRPA1
SCHEMBL13720899 0.84 CA4 (0.59) CA4KMT2ALTA4HL3MBTL1TRPA1

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