SCHEMBL7606433

SCHEMBL7606433

O=[N+]([O-])c1cc(Cl)c(Sc2ccc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
IDO1 P14902 1/20 0.60
USP7 Q93009 3/20 0.53
USP47 Q96K76 1/20 0.53
PDE7A Q13946 13/20 0.51
PDE7B Q9NP56 5/20 0.51
PDE4B Q07343 1/20 0.49
PDE4D Q08499 1/20 0.49
ITGB2 P05107 2/20 0.47
ICAM1 P05362 2/20 0.47
ITGAL P20701 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL7610147 0.83 IDO1 (0.53) TSHRMAPK1IDO1USP7USP47
SCHEMBL7607770 0.83 IDO1 (0.63) TSHRMAPK1IDO1USP7USP47
SCHEMBL5880619 0.83 PDE7A (0.69) TSHRMAPK1IDO1USP7USP47
SCHEMBL7605579 0.80 PDE7A (0.67) TSHRMAPK1IDO1USP7USP47
SCHEMBL7065384 0.77 IDO1 (0.53) TSHRMAPK1IDO1USP7USP47
SCHEMBL7611550 0.77 PDE7A (0.72) IDO1PDE7APDE7BPDE4BPDE4D
SCHEMBL29398960 0.77 TSHR (1.00) TSHRMAPK1IDO1PDE7APDE7B
SCHEMBL487215 0.77 TSHR (1.00) TSHRMAPK1IDO1PDE7APDE7B
SCHEMBL3165346 0.76 ITGB2 (0.72) TSHRMAPK1IDO1PDE7AITGB2
SCHEMBL296924 0.76 IDO1 (1.00) TSHRMAPK1IDO1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165504-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2002-01-02 EP disclosed
WO-2000059878-A2 INHIBITORS OF LFA-1 BINDING TO ICAMs AND USES THEREOF ICOS CORPORATION (US) 2000-10-12 WO disclosed