SCHEMBL29809178

SCHEMBL29809178

N#Cc1cccc(CN2CCCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
FAAH O00519 1/20 0.47
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
ACACB O00763 1/20 0.46
ALOX5 P09917 1/20 0.46
GRM2 Q14416 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
AURKA O14965 1/20 0.44
MAPK13 O15264 1/20 0.44
PDPK1 O15530 1/20 0.44
DYRK3 O43781 1/20 0.44

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
SCHEMBL7424115 1.00 L3MBTL1 (0.54) L3MBTL1FAAHHCRTR1HCRTR2ACACB
SCHEMBL20505562 0.82 ACACB (0.60) L3MBTL1ACACBGRM2CYP19A1CDC7
SCHEMBL7359643 0.82 CYP19A1 (0.52) L3MBTL1FAAHHCRTR1HCRTR2SIRT2
SCHEMBL3906515 0.82 SLC6A2 (0.47) L3MBTL1FAAHHCRTR1HCRTR2SIRT2
Hydrochloric Acid SCHEMBL6886546 0.81 SLC6A2 (0.46) L3MBTL1FAAHHCRTR1HCRTR2SIRT2
SCHEMBL26357090 0.79 POLB (0.64) L3MBTL1FAAHHCRTR1HCRTR2SIRT2
SCHEMBL20576177 0.79 L3MBTL1 (0.64) L3MBTL1ACACBGRM2CYP19A1HRH3
SCHEMBL24732719 0.78 L3MBTL1 (0.58) L3MBTL1ACACBCDC7PLK4AURKA
SCHEMBL13181473 0.78 L3MBTL1 (0.58) L3MBTL1ACACBALOX5CDC7PLK4
SCHEMBL8327744 0.78 KMT2A (0.61) L3MBTL1ACACBCDC7PLK4AURKA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN disclosed