SCHEMBL9309310

SCHEMBL9309310

O=C1CC(C(=O)O)N(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 4/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SRC P12931 1/20 0.38
KDM4E B2RXH2 5/20 0.37
RECQL P46063 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
NR4A1 P22736 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 2/20 0.36
CDK2 P24941 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
APAF1 O14727 1/20 0.35
HK1 P19367 1/20 0.35

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
SCHEMBL9308216 0.81 MAPT (0.44) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9309145 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9307727 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9307737 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1446429 0.73 MAPT (0.57) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9309024 0.72 MAPT (0.42) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL14682636 0.70 MMP2 (0.44) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9310097 0.70 MAPT (0.41) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9310967 0.69 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6593403 0.69 MAPT (0.56) ALDH1A1MAPTMEN1KMT2APOLB

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