SCHEMBL25669483

SCHEMBL25669483

CCCn1ccn(-c2ccc(C(C)C)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.41
▸ NOTUM Q6P988 2/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ POLB P06746 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CTSK P43235 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL25160404 0.82 ALDH1A1 (0.43) MGLLDRD2LMNADRD3MAPT
SCHEMBL27686738 0.76 NOTUM (0.40) MGLLNOTUMMEN1KMT2ATDP1
SCHEMBL20644587 0.73 MGLL (0.46) MGLLNOTUMPOLBLMNARECQL
SCHEMBL9038067 0.72 DRD2 (0.59) DRD2LMNAL3MBTL1MEN1KMT2A
SCHEMBL18686733 0.71 TYR (0.41) MGLLALDH1A1
SCHEMBL20644502 0.71 MGLL (0.37) MGLLNOTUMPOLBLMNARECQL
SCHEMBL25685423 0.68 MAPT (0.43) MGLLNOTUMLMNAMEN1KMT2A
SCHEMBL13384524 0.68 MAPT (0.37) MGLLPOLBLMNAMEN1KMT2A
SCHEMBL25160801 0.68 MAPT (0.32) LMNAMAPTTP53
SCHEMBL14516273 0.67 PDE4A (0.36) ALDH1A1SMN1; SMN2

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-2023109883-A1 AROMATIC HETEROCYCLE-SUBSTITUTED COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2023-06-22 — — WO disclosed
Send feedback