SCHEMBL6494765

SCHEMBL6494765

CC(NC(=O)C1CCN(C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.53
ICAM1 P05362 10/20 0.53
ITGAL P20701 10/20 0.53
MAPT P10636 7/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CAPN1 P07384 2/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6494761 1.00 ITGB2 (0.53) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL6498627 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL6498635 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL8296927 0.88 ITGB2 (0.51) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL6506032 0.84 POLB (0.49) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL6506038 0.84 POLB (0.49) ITGB2ICAM1ITGALMAPTKMT2A
SCHEMBL6495203 0.81 CAPN1 (0.49) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL8296935 0.81 CAPN1 (0.49) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6495207 0.81 CAPN1 (0.49) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6503994 0.81 CAPN1 (0.45) ITGB2ICAM1ITGALMAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed