SCHEMBL9064013

SCHEMBL9064013

C1CCC(NC2CCCCC2)CC1.CC(C)C[C@H](NSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
MAPT P10636 7/20 0.56
KDM4E B2RXH2 3/20 0.56
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 3/20 0.40
HTT P42858 1/20 0.40
DNMT1 P26358 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
ALPG P10696 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7336052 0.88 MAPT (0.70) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL30353822 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL11803384 0.81 MAPT (0.50) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL2900787 0.78 MAPT (0.53) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL2900788 0.78 MAPT (0.53) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL7540298 0.74 MAPT (0.81) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL1158293 0.73 MAPT (0.71) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL1158294 0.73 MAPT (0.71) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL1158053 0.73 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ENPSR1KMT2A
SCHEMBL1158052 0.73 ALDH1A1 (0.62) ALDH1A1MAPTKDM4ENPSR1KMT2A

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
US-5510531-A ANTIINFLAMMATROY AGENTS, MUSCULAR DISORDERS SUNTORY LIMITED (JP) 1996-04-23 US disclosed
US-5081284-A N-Oxomethyl-Substituted Peptide SUNTORY LIMITED (JP) 1992-01-14 US disclosed