SCHEMBL7102214

SCHEMBL7102214

COc1ccc(-c2[c]cccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
ESR2 Q92731 1/20 0.38
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 2/20 0.37
ABCB1 P08183 2/20 0.37
BCR P11274 2/20 0.37
MAOB P27338 1/20 0.36

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
SCHEMBL17514644 0.84 CYP1A1 (0.44) KMT2AMAPTTDP1L3MBTL1ABL1
SCHEMBL9430884 0.81 DYRK1A (0.44) RELAMAPTTDP1CLK4MAOB
SCHEMBL6188780 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL8089529 0.80 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL1867724 0.80 ABL1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL5899212 0.79 HPGD (0.35) KMT2AMAPTTDP1L3MBTL1
SCHEMBL435757 0.79 CYP1A2 (0.41) RELAL3MBTL1
SCHEMBL16719654 0.79 KDM4E (0.47) RELACA12CA1CA2CA7
SCHEMBL4790399 0.77 CYP2A6 (0.44) KMT2AMAPTL3MBTL1ESR2
SCHEMBL1646823 0.76 ABL1 (0.50) CA12CA1CA2CA7CA9

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
US-20030226220-A1 Yellow images with improved light stability and yellow dyes useful therein EASTMAN KODAK COMPANY 2003-12-11 US disclosed
US-5356908-A Agriculture E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-10-18 US disclosed
US-5223523-A Agriculture E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-29 US disclosed
US-4957933-A Fungicidal oxazolidinones E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-18 US disclosed