SCHEMBL9307727

SCHEMBL9307727

O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
SCD O00767 1/20 0.38
SRC P12931 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 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
SCHEMBL9309145 1.00 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9307737 1.00 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9309024 0.90 MAPT (0.42) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9310097 0.87 MAPT (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9308216 0.81 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL9309310 0.80 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9034399 0.75 HPGD (0.52) ALDH1A1GAAMEN1KMT2ASCD
SCHEMBL12261022 0.74 GAA (0.45) GAAMEN1KMT2AATMHTT
SCHEMBL9307568 0.73 ATM (0.41) ALDH1A1MEN1KMT2APOLBATM
SCHEMBL1446429 0.73 MAPT (0.57) ALDH1A1MEN1KMT2AMAPTPOLB

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