SCHEMBL6480463

SCHEMBL6480463

COc1ccc(C2(c3ccc(N4CCCC4)cc3)C=Cc3c(CO)c(C)c4c(F)cc(OC)cc4c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPK1 P28482 1/20 0.35
BRAF P15056 1/20 0.34
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
THRB P10828 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
NR4A1 P22736 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LDHA P00338 1/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL6479818 0.82 MAPT (0.38) MAPTTDP1MAPK1RAB9ALMNA
SCHEMBL12377285 0.78 BRAF (0.37) MAPTTDP1MAPK1BRAFRAB9A
SCHEMBL13726047 0.77 BRAF (0.37) MAPTMAPK1BRAFLMNAHTT
SCHEMBL6492241 0.77 ALDH1A1 (0.37) MAPTTDP1MAPK1RAB9ALMNA
SCHEMBL6651812 0.76 KDM4E (0.37) MAPTTDP1RAB9ALMNAHTT
SCHEMBL29565106 0.76 KDM4E (0.37) MAPTTDP1RAB9ALMNAHTT
SCHEMBL9928123 0.75 BRAF (0.35) MAPTTDP1BRAFRAB9ALMNA
SCHEMBL1984131 0.73 EDNRA (0.33) MAPTBRAFRAB9ALMNAHTT
SCHEMBL12659492 0.72 MAPT (0.35) MAPTTDP1MAPK1RAB9ALMNA
SCHEMBL7115389 0.71 KMT2A (0.36) MAPTTDP1BRAFLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6863843-B2 Naphthopyran compounds, photoresponsive compositions and lenses VISION-EASE LENS, INC. (US) 2005-03-08 US disclosed
US-20020080451-A1 Novel naphthopyran compounds, photoresponsive compositions and lenses VISION-EASE LENS, INC. 2002-06-27 US disclosed