SCHEMBL6498635

SCHEMBL6498635

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.51
ICAM1 P05362 11/20 0.51
ITGAL P20701 11/20 0.51
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CAPN1 P07384 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL6498627 1.00 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL8296927 1.00 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6503200 0.92 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6503201 0.92 ITGB2 (0.49) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6494765 0.88 ITGB2 (0.53) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL6494761 0.88 ITGB2 (0.53) ITGB2ICAM1ITGALALDH1A1MAPT
SCHEMBL8296935 0.85 CAPN1 (0.49) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6495203 0.85 CAPN1 (0.49) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6495207 0.85 CAPN1 (0.49) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL8298766 0.83 CAPN1 (0.47) ITGB2ICAM1ITGALALDH1A1LMNA

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