SCHEMBL9872580

SCHEMBL9872580

O=C1CC(c2ccc([N+](=O)[O-])cc2)=Nc2cccc(C(F)(F)F)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
BCHE P06276 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
SCN2A Q99250 1/20 0.35
PSD A5PKW4 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9872637 0.84 MAPT (0.40) MAPTALDH1A1CYP3A4
SCHEMBL9872038 0.83 NOTUM (0.36) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9872061 0.83 RAB9A (0.45) MAPTKDM4EALDH1A1CYP3A4
SCHEMBL9875005 0.80 MAPT (0.42) MAPTHTTMEN1KMT2AMAPK1
SCHEMBL9874835 0.77 TP53 (0.43) MAPTCYP3A4
SCHEMBL9872713 0.75 CYP3A4 (0.41) CYP3A4
SCHEMBL9874871 0.73 PDE3B (0.37) HSD11B1
SCHEMBL13017188 0.71 MAPT (0.55) MAPTHTTMEN1KMT2AMAPK1
SCHEMBL9873453 0.70 P2RX7 (0.35) MAPTHSD11B1
SCHEMBL27915252 0.66 AKR1C3 (0.52) MAPK1BCHEALDH1A1ABCC8KCNJ11

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-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed