SCHEMBL6496803

SCHEMBL6496803

CN(C)c1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.74
ALDH1A1 P00352 10/20 0.74
LMNA P02545 3/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
MAPK1 P28482 3/20 0.74
HPGD P15428 2/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
NPC1 O15118 1/20 0.74
RAB9A P51151 1/20 0.74
TDP1 Q9NUW8 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
HCAR3 P49019 1/20 0.58
PLA2G4A P47712 1/20 0.52
KDM4E B2RXH2 4/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
GLA P06280 1/20 0.49
HTT P42858 1/20 0.48
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46

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
SCHEMBL6496805 1.00 MAPT (0.74) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL18112016 0.87 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL18112017 0.87 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL18112018 0.87 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6507432 0.85 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL6507430 0.85 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1405552 0.82 MAPT (0.70) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1405551 0.82 MAPT (0.70) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL25201960 0.82 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL16095871 0.82 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2MAPK1

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