SCHEMBL8917839

SCHEMBL8917839

N#Cc1ccccc1OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
FABP7 O15540 2/20 0.45
FABP3 P05413 2/20 0.45
FABP5 Q01469 2/20 0.45
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
MAPK14 Q16539 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAOB P27338 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL6567956 0.90 KMT2A (0.58) SMN1; SMN2MAPTKMT2ALPAR1LPAR5
SCHEMBL11443998 0.83 SLC6A3 (0.60) SMN1; SMN2MAPTKMT2ASLC6A3KDM4E
SCHEMBL11514420 0.82 NPC1 (0.65) SMN1; SMN2MAPTKMT2ALPAR1LPAR5
SCHEMBL11431485 0.79 SCN1A (0.46) SMN1; SMN2KMT2AFABP7FABP3FABP5
SCHEMBL1697190 0.78 SMN1; SMN2 (0.47) SMN1; SMN2FABP7FABP3FABP5LPAR1
SCHEMBL11502149 0.77 TRPV1 (0.46) SMN1; SMN2LPAR1LPAR5MAPK14NPC1
SCHEMBL10500194 0.77 KMT2A (0.50) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL11303161 0.76 RARB (0.46) MAPTKMT2ALPAR1LPAR5NPC1
SCHEMBL28123080 0.76 RXRA (0.57) SMN1; SMN2MAPTKMT2AFABP7FABP3
SCHEMBL10379860 0.76 KMT2A (0.52) SMN1; SMN2MAPTKMT2ANPC1RAB9A

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-5644416-A LIQUID CRYSTAL POLYMER FILM FUJI XEROX CO., LTD. (JP) 1997-07-01 US disclosed