SCHEMBL4231402

SCHEMBL4231402

COc1cc(-c2ccc(-c3cccs3)cc2)c2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 5/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
RAB9A P51151 4/20 0.44
PDE10A Q9Y233 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CYP2B6 P20813 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 3/20 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
SCHEMBL3033599 0.81 ACACA (0.56) KDM4ENPC1ALDH1A1RAB9ACYP1A2
SCHEMBL16810259 0.80 ACACA (0.55) KDM4EALDH1A1L3MBTL1CYP1A2CYP3A4
SCHEMBL13241182 0.79 CYP1A2 (0.49) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4236363 0.78 MAPT (0.63) KDM4ENPC1ALDH1A1RAB9AHPGD
SCHEMBL16293710 0.76 KDM4E (0.50) KDM4ENPC1ALDH1A1RAB9ACYP1A2
SCHEMBL23951 0.75 MAPT (0.59) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL1791444 0.74 CYP1A2 (0.53) NPC1ALDH1A1RAB9ACYP1A2CYP3A4
SCHEMBL13241180 0.74 MAOB (0.49) NPC1ALDH1A1RAB9ACYP1A2CYP3A4
Hydrogen Sulfide SCHEMBL29093271 0.73 MAPT (0.58) KDM4ENPC1ALDH1A1L3MBTL1RAB9A
SCHEMBL28878462 0.73 RAB9A (0.60) KDM4ENPC1ALDH1A1L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098520-B1 Photochromic dichroic naphtho-pyrans and optical articles containing them ESSILOR INT (FR) 2013-07-03 EP disclosed
EP-2098520-B1 Photochromic dichroic naphtho-pyrans and optical articles containing them ESSILOR INT (FR) 2013-07-03 EP disclosed
EP-2098520-A1 Photochromic dichroic naphtho-pyrans and optical articles containing them Essilor International (Compagnie Générale D'Optique) (FR) 2009-09-09 EP disclosed
EP-2098520-A1 Photochromic dichroic naphtho-pyrans and optical articles containing them Essilor International (Compagnie Générale D'Optique) (FR) 2009-09-09 EP disclosed