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Sugi Predict / Compounds / SCHEMBL13804273

SCHEMBL13804273

SCHEMBL13804273

C[C@@]1(Cc2ccc(N)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(C(=O)N[C@H](CC(N)=O)C(=O)N3CC(F)(F)C3)n21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 19/20 0.51
▸ ITGB2 P05107 18/20 0.51
▸ ICAM1 P05362 18/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL2396088 0.92 ITGAL (0.55) ITGALITGB2ICAM1TMEM97
SCHEMBL2394300 0.92 ITGAL (0.55) ITGALITGB2ICAM1TMEM97
SCHEMBL13804287 0.88 ITGAL (0.57) ITGALITGB2ICAM1TMEM97
SCHEMBL12310222 0.82 ITGAL (0.60) ITGALITGB2ICAM1TMEM97
SCHEMBL2397897 0.80 TMEM97 (0.58) ITGALITGB2ICAM1TMEM97
SCHEMBL2393177 0.80 TMEM97 (0.58) ITGALITGB2ICAM1TMEM97
SCHEMBL2393184 0.80 TMEM97 (0.58) ITGALITGB2ICAM1TMEM97
SCHEMBL13804438 0.80 ITGAL (0.55) ITGALITGB2ICAM1TMEM97
SCHEMBL12310478 0.77 ITGAL (0.38) ITGALITGB2ICAM1TMEM97
SCHEMBL12310274 0.77 ITGB2 (0.69) 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
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 — — WO disclosed