SCHEMBL23061315

SCHEMBL23061315

CCc1c(S(C)(=O)=O)ccc(C(=O)c2c(C)nn(C)c2O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.31
NR2F2 P24468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
GALR3 O60755 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL20065811 0.89 SMN1; SMN2 (0.31) MAPTKDM4ENR2F2SMN1; SMN2HTT
SCHEMBL28662642 0.89 MAPT (0.33) ALDH1A1MAPTKDM4ENR2F2SMN1; SMN2
SCHEMBL19099426 0.88 LMNA (0.32) MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL29790388 0.88 LMNA (0.32) MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL28653745 0.87 MAPT (0.34) ALDH1A1MAPTKDM4ENR2F2SMN1; SMN2
SCHEMBL19099421 0.85 ADCY10 (0.34) KMT2A
SCHEMBL22945928 0.85 CNR1 (0.36) ALDH1A1MAPTKDM4ENR2F2SMN1; SMN2
SCHEMBL23061055 0.84 C5AR1 (0.30)
SCHEMBL10035231 0.84 ALDH1A1 (0.32) ALDH1A1MAPTKDM4ENR2F2SMN1; SMN2
SCHEMBL19091697 0.84 POLB (0.36) ALDH1A1MAPTKDM4EHTTLMNA

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-2021036845-A1 SUBSTITUTED BENZOYL COMPOUND AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2021-03-04 WO disclosed