SCHEMBL30452496

SCHEMBL30452496

CCNC(=O)c1cccc(C(C(N)=O)c2ccc(Cl)nn2)c1OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
APEX1 P27695 4/20 0.37
HPGD P15428 2/20 0.35
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
PDCD1LG2 Q9BQ51 3/20 0.34
CD274 Q9NZQ7 3/20 0.34
KMT2A Q03164 2/20 0.33
RORC P51449 1/20 0.33
DRD2 P14416 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL23879282 1.00 LMNA (0.37) LMNAAPEX1HPGDJAK1TYK2
SCHEMBL23879248 0.87 TAS1R3 (0.38) LMNAHPGDPDCD1LG2CD274KMT2A
SCHEMBL30452200 0.87 TAS1R3 (0.38) LMNAHPGDPDCD1LG2CD274KMT2A
SCHEMBL30452603 0.83 ALDH1A1 (0.47) LMNAAPEX1HPGDJAK1TYK2
SCHEMBL23879268 0.83 ALDH1A1 (0.47) LMNAAPEX1HPGDJAK1TYK2
SCHEMBL23894399 0.76 HPGD (0.47) LMNAAPEX1HPGDKMT2ADRD2
SCHEMBL28420887 0.74 TAS1R3 (0.38) LMNAHPGDPDCD1LG2CD274KMT2A
SCHEMBL23879255 0.72 ALDH1A1 (0.51) LMNAHPGDKMT2A
SCHEMBL30452538 0.72 ALDH1A1 (0.51) LMNAHPGDKMT2A
SCHEMBL23879259 0.71 GAA (0.43) LMNAKMT2A

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-111253404-B Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof 上海医药集团股份有限公司 2023-05-23 CN disclosed