SCHEMBL22296844

SCHEMBL22296844

Cc1cc2c(c(Cl)c1C(=O)N[C@@H](CNC(=O)c1cccs1)C(=O)I)CCN(Cc1ccccc1)C2

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGAL P20701 16/20 0.59
▸ ITGB2 P05107 15/20 0.59
▸ ICAM1 P05362 15/20 0.59
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL13813603 0.94 ITGAL (0.67) ITGALITGB2ICAM1PRMT5WDR77
SCHEMBL23176585 0.92 ITGAL (0.59) ITGALITGB2ICAM1PRMT5WDR77
SCHEMBL17991461 0.86 ITGAL (0.76) ITGALITGB2ICAM1
SCHEMBL16731604 0.79 ITGAL (0.68) ITGALITGB2ICAM1
SCHEMBL17991454 0.77 ITGAL (0.65) ITGALITGB2ICAM1
SCHEMBL22296843 0.76 ITGAL (0.64) ITGALITGB2ICAM1
SCHEMBL19158522 0.74 ITGAL (0.77) ITGALITGB2ICAM1
SCHEMBL16307479 0.72 ITGB2 (0.69) ITGALITGB2ICAM1
SCHEMBL4755996 0.72 ITGB2 (0.80) ITGALITGB2ICAM1
SCHEMBL12169926 0.71 ITGAL (0.65) 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
EP-3167886-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA NOVARTIS AG (CH) 2020-08-05 — — EP disclosed
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