SCHEMBL23979052

SCHEMBL23979052

NC(=O)NC[C@H](NC(=O)c1c(Cl)ccc(NC2Cc3ccccc3C2)c1Cl)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.39
ICAM1 P05362 7/20 0.39
ITGAL P20701 7/20 0.39
ITGB1 P05556 6/20 0.39
ITGA5 P08648 3/20 0.39
PRMT5 O14744 6/20 0.38
ITGAV P06756 4/20 0.38
ITGA4 P13612 2/20 0.38
ITGB3 P05106 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL23978691 0.90 PRMT5 (0.36) ITGB1ITGA5PRMT5MEN1KMT2A
SCHEMBL23978677 0.84 PRMT5 (0.39) PRMT5MEN1KMT2A
SCHEMBL23978938 0.83 EPHX2 (0.43) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL26106493 0.83 EPHX2 (0.43) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL23978584 0.83 EPHX2 (0.43) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL30279419 0.83 EPHX2 (0.43) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL23978978 0.80 EPHX2 (0.42) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL30279418 0.80 EPHX2 (0.42) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL23979031 0.80 EPHX2 (0.42) ITGB2ICAM1ITGALPRMT5MEN1
SCHEMBL26106656 0.80 EPHX2 (0.42) ITGB2ICAM1ITGALPRMT5MEN1

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-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed