SCHEMBL31445490

SCHEMBL31445490

CS(=O)(=O)NCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.57
ITGB3 P05106 18/20 0.57
ITGB6 P18564 6/20 0.52
ITGB5 P18084 4/20 0.52
ITGB8 P26012 4/20 0.52
ITGA2B P08514 1/20 0.48

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
SCHEMBL21328658 0.85 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL29416516 0.85 ITGAV (0.54) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL23292865 0.84 ITGAV (0.66) ITGAVITGB3ITGB6
SCHEMBL23292862 0.84 ITGAV (0.66) ITGAVITGB3ITGB6
SCHEMBL21329736 0.84 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL4389527 0.84 ITGAV (0.46) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5500945 0.82 ITGAV (0.67) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21328584 0.81 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL22893606 0.81 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL31446614 0.81 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8

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
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed