SCHEMBL4226841

SCHEMBL4226841

Fc1ccccc1C1(c2ccc(N3CCCC3)cc2)C=Cc2c(cc(-c3ccc(-c4cccs4)cc3)c3ccccc23)O1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.33
PDK2 Q15119 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL1789998 0.85 PRKDC (0.37) PRKDCKDM4EALDH1A1
SCHEMBL13219241 0.81 HRH3 (0.33)
SCHEMBL13219242 0.79 PDK2 (0.33) PDK2TP53
SCHEMBL2599682 0.76 SMN1; SMN2 (0.37) PRKDCPDK2MEN1KMT2AMAPT
SCHEMBL13699530 0.76 ALDH1A1 (0.36) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL13240239 0.75 KIF11 (0.36) PRKDCMEN1KMT2AMAPTTDP1
SCHEMBL13488507 0.75 MAPT (0.35) MEN1KMT2AMAPTTDP1KDM4E
SCHEMBL24620630 0.72 PRKDC (0.35) PRKDC
SCHEMBL24659529 0.72 PRKDC (0.35) PRKDC
SCHEMBL3034775 0.71 HRH3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2098520-A1 Photochromic dichroic naphtho-pyrans and optical articles containing them Essilor International (Compagnie Générale D'Optique) (FR) 2009-09-09 EP claimed
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