SCHEMBL23802488

SCHEMBL23802488

CCCCCC/C(=N\OC(=O)c1ccccc1CC(=O)O/N=C(/C)c1ccc2c(c1)c1cc(C(=O)c3ccccc3C)ccc1n2CC)C(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGD P15428 2/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL19019693 0.90 CNR2 (0.36) CNR2KDM4ELMNAMAPTMEN1
SCHEMBL19042896 0.84 CNR2 (0.34) CNR2KDM4ELMNAMAPTHPGD
SCHEMBL21938746 0.82 CNR2 (0.33) CNR2
SCHEMBL16556361 0.81 CNR2 (0.44) CNR2KDM4ELMNAMAPTMEN1
SCHEMBL17070006 0.80 CNR2 (0.41) CNR2KDM4ELMNAMAPTMEN1
SCHEMBL11960281 0.80 CNR2 (0.41) CNR2KDM4ELMNAMAPTMEN1
SCHEMBL12890838 0.76 CNR2 (0.40) CNR2KDM4ELMNAMAPTMEN1
SCHEMBL17069980 0.76 KMT2A (0.42) LMNAMAPTMEN1KMT2AHTT
SCHEMBL18784075 0.76
SCHEMBL25911799 0.76 L3MBTL1 (0.35) CNR2KDM4ELMNAMEN1KMT2A

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-2021175855-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2021-09-10 WO disclosed