SCHEMBL6492241

SCHEMBL6492241

COc1ccc(C2(c3ccc(N4CCCC4)cc3)C=Cc3c(C=O)cc4c(F)cc(OC)cc4c3O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
MAPT P10636 5/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 3/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR4A1 P22736 1/20 0.32
MCL1 Q07820 1/20 0.32
CNR1 P21554 1/20 0.31
MAOB P27338 1/20 0.31
APP P05067 1/20 0.31

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 0.88 MAPT (0.38) ALDH1A1MAPTTDP1MAPK1KMT2A
SCHEMBL6480463 0.77 MAPT (0.35) ALDH1A1MAPTTDP1MAPK1KMT2A
SCHEMBL6479062 0.73 ALDH1A1 (0.34) ALDH1A1MAPTTDP1MAPK1KMT2A
SCHEMBL12659492 0.72 MAPT (0.35) ALDH1A1MAPTTDP1MAPK1KMT2A
SCHEMBL5550993 0.72 MAPT (0.38) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL10102269 0.71 MAPT (0.36) ALDH1A1MAPTTDP1MAPK1LMNA
SCHEMBL13726047 0.71 BRAF (0.37) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL24620628 0.71 APP (0.38) ALDH1A1MAPTMAPK1KMT2ALMNA
SCHEMBL7936515 0.71 KEAP1 (0.42) ALDH1A1MAPTKMT2ARAB9AKDM4E
SCHEMBL7971698 0.71 MAPT (0.38) ALDH1A1MAPTMAPK1KMT2ALMNA

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