SCHEMBL3374804

SCHEMBL3374804

Sc1cccc(C=Cc2ccccc2)c1C=Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 8/20 0.48
TRPA1 O75762 2/20 0.48
CHAT P28329 1/20 0.40
MAOB P27338 3/20 0.39
CYP19A1 P11511 2/20 0.39
MAOA P21397 2/20 0.39
DHFR P00374 1/20 0.39
NR1H2 P55055 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL478037 0.85 NFE2L2 (0.58) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL478036 0.85 NFE2L2 (0.58) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL17594612 0.82 NFE2L2 (0.50) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL31421960 0.82 NFE2L2 (0.50) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL1651978 0.78 TRPA1 (0.57) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL2033487 0.78 NFE2L2 (0.54) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL2033485 0.78 NFE2L2 (0.54) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL14982910 0.76 NFE2L2 (0.48) NFE2L2TRPA1CHATMAOBCYP19A1
SCHEMBL358118 0.76 TRPA1 (0.70) NFE2L2TRPA1
SCHEMBL10701359 0.76 NFE2L2 (0.48) NFE2L2TRPA1CHATMAOBCYP19A1

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
EP-2236488-A1 Materials, methods and uses for photochemical generation of acids and/or radical species The Arizona Board of Regents on behalf of the University of Arizona (US) 2010-10-06 EP disclosed
US-7459106-B2 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2008-12-02 US disclosed
EP-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP disclosed
US-20050173683-A1 Materials, methods, and uses for photochemical generation of acids and/or radical species THE ARIZ BD OF REGENTS ON BEHALF OF THE UNIV OF AZ (US) 2005-08-11 US disclosed
EP-1390664-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES The Arizona Board of Regents (US) 2004-02-25 EP disclosed
WO-2002079691-A1 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2002-10-10 WO disclosed