SCHEMBL8091330

SCHEMBL8091330

O=C(C=Cc1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)N1CCNCC1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 0.81
ITGB2 P05107 19/20 0.81
ICAM1 P05362 19/20 0.81

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
Trifluoroacetic Acid SCHEMBL6201136 0.94 ITGAL (0.72) ITGALITGB2ICAM1
SCHEMBL5829931 0.89 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5830196 0.89 ITGAL (0.82) ITGALITGB2ICAM1
SCHEMBL5830397 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL7619718 0.86 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5830841 0.86 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL5830363 0.85 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL7621048 0.85 ITGAL (0.79) ITGALITGB2ICAM1
SCHEMBL5830023 0.85 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL7619858 0.85 ITGAL (0.77) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 US disclosed