SCHEMBL30824969

SCHEMBL30824969

Oc1ccc(N2CCCCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
CTSB P07858 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HTT P42858 2/20 0.51
TLR9 Q9NR96 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.51
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.47
KEAP1 Q14145 1/20 0.46
USP2 O75604 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 2/20 0.43
HTR6 P50406 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL16188913 0.98 AR (0.56) ARCTSBMEN1KMT2AHTT
SCHEMBL10963124 0.86 MEN1 (0.52) ARCTSBMEN1KMT2AHTT
SCHEMBL30824991 0.81 CTSB (0.56) CTSBMEN1KMT2AHTTMAPT
SCHEMBL30824956 0.81 IDO1 (0.46) ARCTSBMEN1KMT2AHTT
SCHEMBL30824988 0.81 DRD2 (0.54) MEN1KMT2AL3MBTL1IDO1HTR6
SCHEMBL23484647 0.78 AR (0.51) ARCTSBMEN1KMT2AHTT
SCHEMBL3602624 0.77 HTR6 (0.69) ARCTSBMEN1KMT2AHTT
SCHEMBL24093676 0.77 GAA (0.55) ARCTSBMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL30735705 0.76 GAA (0.53) ARCTSBMEN1KMT2AHTT
SCHEMBL1008507 0.75 GAA (0.58) MEN1KMT2AHTTTLR9L3MBTL1

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-117624019-A Naphthol [1,8-ef ] isoindole-7, 8,10 (9H) -trione derivative and preparation method and application thereof 华侨大学 2024-03-01 CN disclosed