SCHEMBL5402449

SCHEMBL5402449

O=C(Cc1cccc[n+]1C(=O)O)Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KDM1A O60341 1/20 0.42
GAA P10253 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 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
SCHEMBL13901174 0.74 LMNA (0.73) KMT2ALMNAL3MBTL1
SCHEMBL1516167 0.71 EPHX2 (1.00) EPHX2MEN1KMT2AMAPTHTT
SCHEMBL10054999 0.71 EPHX2 (0.92) EPHX2MEN1KMT2AMAPTBCHE
SCHEMBL1689206 0.70 EPHX2 (0.68) EPHX2MEN1KMT2AL3MBTL1MAPT
Hydrochloric Acid SCHEMBL27735879 0.70 EPHX2 (0.96) EPHX2MEN1KMT2AMAPTHTT
SCHEMBL3342586 0.68 L3MBTL1 (0.80) EPHX2CYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL25737005 0.68 EPHX2 (0.76) EPHX2MEN1KMT2ALMNAMAPT
SCHEMBL5623718 0.68 CYP1A2 (0.65) EPHX2MEN1KMT2ALMNACYP1A2
SCHEMBL27262317 0.67 EPHX2 (0.58) EPHX2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL5143683 0.67 EPHX2 (0.63) EPHX2MEN1KMT2ACYP1A2CYP2D6

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
WO-2007132179-A2 THERAPEUTICS COMPRISING PYRIDINIUM DERIVATIVES UNIVERSITY OF BATH (GB) 2007-11-22 WO disclosed