SCHEMBL9072174

SCHEMBL9072174

N=Cc1ccc(/C=C/Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.56
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ARG2 P78540 1/20 0.44
LTA4H P09960 1/20 0.42
IDO1 P14902 2/20 0.39
PAM P19021 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
HTR2A P28223 3/20 0.37

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
SCHEMBL4256257 0.87 MAOB (0.67) MAOBCA1CA2ARG2LTA4H
SCHEMBL163963 0.87 MAOB (0.67) MAOBCA1CA2ARG2LTA4H
SCHEMBL1892917 0.87 MAOB (0.67) MAOBCA1CA2ARG2LTA4H
SCHEMBL29465798 0.82 MAOB (0.50) MAOBCA1CA2ARG2LTA4H
SCHEMBL8333012 0.82 MAOB (0.54) MAOBCA1CA2ARG2LTA4H
SCHEMBL4381661 0.82 MAOB (0.54) MAOBCA1CA2ARG2KMT2A
SCHEMBL454174 0.82 MAOB (0.59) MAOBCA1CA2ARG2LTA4H
SCHEMBL4381664 0.82 MAOB (0.54) MAOBCA1CA2ARG2KMT2A
SCHEMBL3847305 0.82 MAOB (0.54) MAOBCA1CA2ARG2LTA4H
SCHEMBL16052780 0.82 MAOB (0.54) MAOBCA1CA2ARG2LTA4H

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-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed