SCHEMBL7312405

SCHEMBL7312405

O=C(O)[C@H](Cc1ccccc1[N+](=O)[O-])NSc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
DNMT1 P26358 1/20 0.49
KDM4A O75164 1/20 0.47
CYP1A2 P05177 2/20 0.46
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10431039 0.87 DNMT1 (0.48) ALDH1A1MAPTKDM4EDNMT1KDM4A
SCHEMBL22290853 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EKDM4ACYP1A2
SCHEMBL10148012 0.81 MEN1 (0.50) ALDH1A1MAPTKDM4EKDM4AKMT2A
SCHEMBL7318863 0.80 DNMT1 (0.43) ALDH1A1MAPTKDM4EDNMT1KDM4A
SCHEMBL6773482 0.78 KDM4A (0.54) ALDH1A1MAPTKDM4EKDM4AKMT2A
SCHEMBL7420624 0.78 KDM4A (0.54) ALDH1A1MAPTKDM4EKDM4AKMT2A
SCHEMBL3096665 0.77 ALDH1A1 (0.55) ALDH1A1CYP1A2KMT2ATSHRMEN1
SCHEMBL1158293 0.76 MAPT (0.71) ALDH1A1MAPTKDM4EDNMT1KDM4A
SCHEMBL1158294 0.76 MAPT (0.71) ALDH1A1MAPTKDM4EDNMT1KDM4A
SCHEMBL8125444 0.75 KDM4A (0.51) ALDH1A1MAPTKDM4EKDM4AKMT2A

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