SCHEMBL22898546

SCHEMBL22898546

C[C@H]1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@H]1Cc1ccc(Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ITGAL P20701 14/20 0.47
ITGB2 P05107 13/20 0.46
ICAM1 P05362 13/20 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
SCHEMBL22898603 0.76 ITGAL (0.41) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL11762036 0.74 TSHR (0.47) RAB9AMEN1KMT2A
SCHEMBL22898559 0.73 ITGAL (0.41) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL4692248 0.71 ALOX5 (0.47) ITGALITGB2ICAM1
SCHEMBL17347096 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL17338997 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL17338998 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL17338995 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL17347061 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1
SCHEMBL18787390 0.69 ITGAL (0.42) MEN1KMT2AITGALITGB2ICAM1

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-3154941-B1 SMALL MOLECULE LFA-1 INHIBITORS ALLOCYTE PHARMACEUTICALS AG (CH) 2021-01-20 EP disclosed