SCHEMBL30012355

SCHEMBL30012355

COc1cc(OC)c(-c2ccccc2F)cc1-c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
KCNN4 O15554 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
DUSP3 P51452 1/20 0.44
KMT2A Q03164 1/20 0.44
IDO1 P14902 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL9106393 1.00 ERN1 (0.46) ERN1KCNN4NFE2L2ALDH1A1MAPT
SCHEMBL18339168 0.94 ERN1 (0.47) ERN1KCNN4NFE2L2ALDH1A1MAPT
SCHEMBL12811507 0.89 IDO1 (0.49) ERN1KCNN4NFE2L2MAPTMEN1
SCHEMBL10122739 0.89 KCNN4 (0.43) ERN1KCNN4NFE2L2ALDH1A1MAPT
SCHEMBL20321846 0.89 NPC1 (0.45) ERN1KCNN4NFE2L2ALDH1A1MAPT
SCHEMBL20321546 0.87 NPC1 (0.53) ERN1KCNN4ALDH1A1MAPTMEN1
SCHEMBL9108122 0.86 NQO1 (0.47) ERN1KCNN4NFE2L2ALDH1A1MAPT
SCHEMBL21784527 0.85 MAPK10 (0.45) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL21784825 0.84 ORAI1 (0.42) ERN1ALDH1A1MAPTTDP1KDM4E
SCHEMBL22285911 0.83 CA12 (0.52) ERN1KCNN4NFE2L2ALDH1A1MAPT

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-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed