SCHEMBL8941933

SCHEMBL8941933

O=C(O)CCSc1ccccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
MAPT P10636 7/20 0.67
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 2/20 0.48
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PDE7A Q13946 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 2/20 0.43
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CRBN Q96SW2 1/20 0.42

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
SCHEMBL2705062 0.83 APEX1 (0.63) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7458037 0.81 CA2 (0.57) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9050843 0.80 MAPT (1.00) ALDH1A1MAPTGAAAPEX1SMN1; SMN2
SCHEMBL9850820 0.79 ALDH1A1 (0.60) ALDH1A1MAPTAPEX1SMN1; SMN2TSHR
SCHEMBL15801080 0.79 ALDH1A1 (0.72) ALDH1A1MAPTKDM4EGAAAPEX1
SCHEMBL9850742 0.79 MEN1 (0.62) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11326715 0.79 APEX1 (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8324749 0.78 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL7764834 0.78 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11303910 0.78 MAPT (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008153289-A2 PROCESS FOR PREPARING BEPOTASTINE AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2008-12-18 WO disclosed
US-5514589-A ACYLATION OF COMPOUND IN THE PRESENCE OF LIPASE IMMOBILIZED ON SUPPORT OF SACCHAROSE ORION-YHTYMA OY FERMION (FI) 1996-05-07 US disclosed
EP-0617130-A2 Method for the resolution of racemic mixtures ORION-YHTYMÄ OY FERMION (FI) 1994-09-28 EP disclosed