SCHEMBL6507432

SCHEMBL6507432

COC(=O)C=Cc1ccc(N(C)C)c([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.66
ALDH1A1 P00352 9/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 3/20 0.66
MAPK1 P28482 3/20 0.66
HPGD P15428 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
TDP1 Q9NUW8 2/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HCAR3 P49019 1/20 0.51
TTR P02766 1/20 0.50
APP P05067 1/20 0.50
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 3/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 1/20 0.47
BACE1 P56817 2/20 0.47

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
SCHEMBL6507430 1.00 MAPT (0.66) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL18112346 0.88 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL18112345 0.88 SMN1; SMN2 (0.54) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6496803 0.85 MAPT (0.74) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6496805 0.85 MAPT (0.74) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6168977 0.82 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL6168986 0.82 ALDH1A1 (0.57) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL29913976 0.82 APP (0.66) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL358099 0.81 TUBB4A (0.63) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8237371 0.81 TTR (0.52) MAPTALDH1A1SMN1; SMN2LMNAMAPK1

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