SCHEMBL5720643

SCHEMBL5720643

COc1cc(C=Cc2ccc(N)c(OC)c2)ccc1N

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.85
CYP19A1 P11511 2/20 0.63
TUBB4A P04350 4/20 0.62
TUBB P07437 4/20 0.62
TUBA3C P0DPH7 4/20 0.62
TUBA1B P68363 4/20 0.62
TUBA4A P68366 4/20 0.62
TUBB4B P68371 4/20 0.62
TUBB3 Q13509 4/20 0.62
TUBB2A Q13885 4/20 0.62
TUBB8 Q3ZCM7 4/20 0.62
TUBA3E Q6PEY2 4/20 0.62
TUBA1A Q71U36 4/20 0.62
TUBA1C Q9BQE3 4/20 0.62
TUBB6 Q9BUF5 4/20 0.62
TUBB2B Q9BVA1 4/20 0.62
TUBB1 Q9H4B7 4/20 0.62
ALDH1A1 P00352 3/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL5720639 1.00 APP (0.85) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL5720546 0.92 CYP19A1 (0.77) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL5720541 0.92 CYP19A1 (0.77) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL7636432 0.91 TUBB1 (0.78) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL7490684 0.91 TUBB1 (0.78) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL25990122 0.90 APP (0.71) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL25990220 0.85 APP (0.65) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL25990328 0.85 APP (0.65) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL12715636 0.84 FDPS (0.63) APPCYP19A1TUBB4ATUBBTUBA3C
SCHEMBL29644335 0.84 NFKB1 (0.69) APPALDH1A1CYP3A4HSD17B10CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345992-B1 DISAZO DYES, AND COPPER COMPLEXES THEREOF, FOR DYEING PAPER CIBA SC HOLDING AG (CH) 2006-07-05 EP disclosed
US-5952477-A A WATER-SOLUBLE AZO DYE FOR USE IN POLARIZING FILM HAS HIGH HYDROTHERMORESISTANCE AND A HIGH POLARIZATION DEGREE AND IS EXCELLENT IN OPTICAL CHARACTERISTICS MITSUI CHEMICALS, INC. (JP) 1999-09-14 US disclosed
EP-0621317-B1 Azo compound and polarizing film using it MITSUI CHEMICALS INC (JP) 1998-12-16 EP disclosed
US-5618868-A FILM CONTAINS AZO DYE; HYDROTHERMAL RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1997-04-08 US disclosed
EP-0621317-A1 Azo compound and polarizing film using it MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-10-26 EP disclosed