SCHEMBL6479062

SCHEMBL6479062

COCc1cc2c(OC)cc(F)cc2c2c1C=CC(c1ccc(OC)cc1)(c1ccc(N3CCCC3)cc1)O2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PAX8 Q06710 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
AOC3 Q16853 1/20 0.30
MAPK1 P28482 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
SCHEMBL5649476 0.78 RAB9A (0.39) ALDH1A1MAPTTDP1KDM4EMEN1
SCHEMBL9928122 0.76 MAPT (0.32) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL10081334 0.76 KMT2A (0.33) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL6479818 0.76 MAPT (0.38) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL10102269 0.74 MAPT (0.36) ALDH1A1MAPTTDP1LMNAKDM4E
SCHEMBL9928123 0.74 BRAF (0.35) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL7115389 0.74 KMT2A (0.36) MAPTTDP1LMNAHTTMEN1
SCHEMBL6492241 0.73 ALDH1A1 (0.37) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL12659492 0.71 MAPT (0.35) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL6480463 0.71 MAPT (0.35) ALDH1A1MAPTTDP1LMNAHTT

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