SCHEMBL7311455

SCHEMBL7311455

NC(=O)CC(NSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 5/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GAA P10253 3/20 0.49
DNMT1 P26358 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL7311462 1.00 MAPT (1.00) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7540298 0.90 MAPT (0.81) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7312481 0.88 MAPT (0.78) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7312478 0.88 MAPT (0.78) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11226801 0.88 MAPT (0.78) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11204337 0.86 ALDH1A1 (0.74) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158294 0.83 MAPT (0.71) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL1158293 0.83 MAPT (0.71) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7336052 0.82 MAPT (0.70) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL11700361 0.81 MAPT (0.69) MAPTALDH1A1KDM4EMEN1KMT2A

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
US-4508645-A CYCLIC OLIGOPEPTIDE CONTAINING PENICILLAMINE RESIDE CESKOSLOVENSKA AKADEMIE VED (CS) 1985-04-02 US disclosed