SCHEMBL21992368

SCHEMBL21992368

CN(C(=O)C(Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N1CCc2c(Cl)ccnc21)c1ccc2scnc2c1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 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
SCHEMBL18181192 1.00 ITGB2 (0.30) ITGB2ICAM1ITGAL
SCHEMBL19999818 0.89
SCHEMBL20007178 0.89
SCHEMBL21992081 0.88 FPR1 (0.37)
SCHEMBL18181183 0.88 FPR1 (0.37)
SCHEMBL19999822 0.86 BMP1 (0.33) ITGB2ICAM1ITGAL
SCHEMBL18180974 0.86 FPR1 (0.30)
SCHEMBL18181360 0.85 FPR1 (0.35)
SCHEMBL18180973 0.85
SCHEMBL21992680 0.85

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
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed