SCHEMBL9768433

SCHEMBL9768433

COc1ccc(-c2cnc(-c3nc(-c4ccccc4Cl)c(-c4ccc(OC)c(OC)c4)[nH]3)[nH]2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.51
HPGDS O60760 1/20 0.51
TEK Q02763 1/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMPD3 Q9NY59 3/20 0.43
MPO P05164 1/20 0.43
MAPT P10636 7/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 2/20 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
SCHEMBL5076359 0.88 TEK (0.57) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL28004199 0.83 TEK (0.64) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL1038907 0.83 TEK (0.58) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL9496039 0.80 TEK (0.59) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL29895756 0.80 TEK (0.59) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL29581646 0.80 TEK (0.59) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL10436432 0.79 TEK (0.45) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL16503686 0.75 TEK (0.46) NPY5RTEKALDH1A1TP53MEN1
SCHEMBL28407375 0.75 MAPK13 (0.53) TEKALDH1A1TP53MEN1KMT2A
SCHEMBL27888885 0.75 TEK (0.45) TEKALDH1A1TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043237-A Inhibitor-containing photohardenable electrostatic master compositions having improved resolution E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-08-27 US disclosed
EP-0436948-A2 Inhibitor-containing photohardenable compositions having improved resolution E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-17 EP disclosed
US-5017451-A Toners E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-21 US disclosed
EP-0390103-A2 High resolution superimposed images from photopolymer electrographic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-03 EP disclosed
US-4960660-A RADIATION EXPOSURE, STRIPPING COVER SHEET, LAMINATION, PEELING TEMPORARY SURFACE, CHARGING, DEVELOPING E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-02 US disclosed
EP-0243934-A2 Xeroprinting with photopolymer master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-04 EP disclosed