SCHEMBL9310097

SCHEMBL9310097

COC(=O)C1CC(O)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 3/20 0.41
KDM4E B2RXH2 3/20 0.41
RECQL P46063 2/20 0.41
GAA P10253 1/20 0.41
NR4A1 P22736 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 8/20 0.40
CTRC Q99895 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP2 P08253 2/20 0.39
ANPEP P15144 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
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
SCHEMBL9307727 0.87 ALDH1A1 (0.41) MAPTPOLBKDM4EGAAMEN1
SCHEMBL9307737 0.87 ALDH1A1 (0.41) MAPTPOLBKDM4EGAAMEN1
SCHEMBL9309145 0.87 ALDH1A1 (0.41) MAPTPOLBKDM4EGAAMEN1
SCHEMBL9309024 0.86 MAPT (0.42) MAPTTDP1POLBKDM4ERECQL
SCHEMBL14682635 0.85 MEN1 (0.42) MAPTTDP1POLBKDM4EGAA
SCHEMBL12284558 0.84 ANPEP (0.50) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL1121964 0.84 ANPEP (0.50) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL7978138 0.79 KMT2A (0.45) MAPTTDP1KDM4EMEN1KMT2A
SCHEMBL18657109 0.78 MMP2 (0.45) MAPTPOLBKDM4EMEN1KMT2A
SCHEMBL3345460 0.78 MMP2 (0.45) MAPTPOLBKDM4EMEN1KMT2A

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-5332735-A Antiamnesic activity ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed