SCHEMBL6506032

SCHEMBL6506032

CC(NC(=O)C1CCN(C(=O)/C=C/c2cc(Cl)ccc2[N+](=O)[O-])CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
BACE1 P56817 1/20 0.44
MAPT P10636 5/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
CAPN1 P07384 3/20 0.43
ITGB2 P05107 2/20 0.43
ICAM1 P05362 2/20 0.43
ITGAL P20701 2/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
ENPP2 Q13822 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL6506038 1.00 POLB (0.49) POLBSMN1; SMN2LMNAL3MBTL1BACE1
SCHEMBL6503990 0.89 CAPN1 (0.45) SMN1; SMN2LMNAL3MBTL1MAPTKMT2A
SCHEMBL6503994 0.89 CAPN1 (0.45) SMN1; SMN2LMNAL3MBTL1MAPTKMT2A
SCHEMBL6497738 0.85 RAB9A (0.53) SMN1; SMN2LMNAL3MBTL1MAPTCAPN1
SCHEMBL6497734 0.85 RAB9A (0.53) SMN1; SMN2LMNAL3MBTL1MAPTCAPN1
SCHEMBL6506657 0.84 OPRM1 (0.53) POLBSMN1; SMN2LMNAMAPTHTT
SCHEMBL6494761 0.84 ITGB2 (0.53) POLBSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL6506666 0.84 OPRM1 (0.53) POLBSMN1; SMN2LMNAMAPTHTT
SCHEMBL6494765 0.84 ITGB2 (0.53) POLBSMN1; SMN2LMNAL3MBTL1MAPT
SCHEMBL6504678 0.81 CAPN1 (0.43) SMN1; SMN2L3MBTL1MAPTKMT2ACAPN1

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