SCHEMBL30573259

SCHEMBL30573259

O=C(Nc1cccc(O)c1)c1ccccc1I

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
TDP1 Q9NUW8 1/20 0.70
LMNA P02545 3/20 0.64
RXFP1 Q9HBX9 2/20 0.63
SRC P12931 1/20 0.55
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 1/20 0.53
TERT O14746 1/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 2/20 0.53
MAOB P27338 1/20 0.52
FADS1 O60427 1/20 0.51
P2RX1 P51575 1/20 0.51
MAPT P10636 2/20 0.50
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL11588351 1.00 MEN1 (0.70) MEN1KMT2ATDP1LMNARXFP1
SCHEMBL4372468 0.83 P2RX1 (0.71) MEN1KMT2ALMNASRCALDH1A1
Benodanil SCHEMBL18736 0.83 MEN1 (1.00) MEN1KMT2ATDP1LMNARXFP1
Benodanil SCHEMBL29402073 0.83 MEN1 (1.00) MEN1KMT2ATDP1LMNARXFP1
SCHEMBL28493350 0.83 ALDH1A1 (0.68) MEN1KMT2ATDP1RXFP1ALDH1A1
SCHEMBL28084403 0.83 FADS1 (0.70) MEN1KMT2ATDP1LMNARXFP1
SCHEMBL28498524 0.83 MEN1 (0.68) MEN1KMT2ATDP1RXFP1RAB9A
SCHEMBL17376723 0.83 MEN1 (0.70) MEN1KMT2ATDP1LMNARXFP1
SCHEMBL7821066 0.82 LMNA (0.80) MEN1KMT2ALMNASRCALDH1A1
SCHEMBL28496803 0.81 MEN1 (0.77) MEN1KMT2ATDP1LMNARXFP1

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
CN-112110877-B Benzisoselenazolone derivative, preparation method and application thereof in anti-coronavirus medicament 青岛大学 2023-09-08 CN disclosed