SCHEMBL9540982

SCHEMBL9540982

O=[N+]([O-])c1ccccc1NCc1ccc(CO)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
MAPK1 P28482 3/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 2/20 0.49
KAT2B Q92831 2/20 0.48
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
IDO1 P14902 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP7 P55210 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PKM P14618 1/20 0.42
MIF P14174 1/20 0.41

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
SCHEMBL9699545 0.83 MAPT (0.52) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9388019 0.81 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4ERAB9A
SCHEMBL9543716 0.79 PKM (0.58) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL10055047 0.78 MAPT (0.73) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL9698164 0.77 MAPT (0.63) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL7164868 0.75 MAPT (0.84) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL102602 0.73 MAPT (0.77) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL110446 0.73 KAT2B (0.66) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL29390623 0.73 KAT2B (0.66) MAPTL3MBTL1MAPK1MEN1KMT2A
SCHEMBL6198859 0.72 KAT2B (0.80) MAPTL3MBTL1MAPK1MEN1KMT2A

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-1993014088-A1 ANTIHISTAMINIC PIPERAZINYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-22 WO disclosed