SCHEMBL4940408

SCHEMBL4940408

CCCCc1ccc(N(c2ccc(/C=C/c3ccc(N(c4ccc(CCCC)cc4)c4cccc([S+](C)Cc5ccccc5)c4)cc3)cc2)c2cccc(C(S)Cc3ccccc3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.33
CDC25B P30305 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL4940413 0.81 BCHE (0.33) BCHECDC25BDUSP3
SCHEMBL4941173 0.76
Trifluoromethanesulfonic Acid SCHEMBL4946534 0.73 CDC25B (0.32) CDC25BDUSP3
SCHEMBL4940382 0.71 SPHK1 (0.32)
SCHEMBL14488416 0.71 APP (0.33)
SCHEMBL18101186 0.70 RELA (0.50) BCHE
SCHEMBL14727238 0.69 HSD11B1 (0.47) CDC25BDUSP3
SCHEMBL4940430 0.69 BCHE (0.37) BCHE
SCHEMBL19272165 0.68 LPL (0.48)
SCHEMBL20202505 0.68 KCNH2 (0.50)

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-1390664-A4 MATERIALS, METHODS, AND USES FOR PHOTOCHEMICAL GENERATION OF ACIDS AND/OR RADICAL SPECIES UNIV ARIZONA (US) 2008-01-02 EP 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