SCHEMBL30189571

SCHEMBL30189571

CC(=O)c1c(Br)cc(Br)c2c(=O)ccoc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 11/20 0.36
CYP19A1 P11511 1/20 0.36
KCNA2 P16389 1/20 0.33
KCNA4 P22459 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNA1 Q09470 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL30189618 0.70 CYP19A1 (0.50) CYP19A1CA9LMNAKDM4E
SCHEMBL27747720 0.65 PTPN1 (0.49) KCNA3KCNA2KCNA5KCNA1CA9
SCHEMBL31494491 0.64 CYP19A1 (0.34) CYP19A1
SCHEMBL30189616 0.62 MAOB (0.40) KCNA3CYP19A1KDM4E
SCHEMBL26095095 0.62 MAPT (0.39) LMNAKDM4E
SCHEMBL30950146 0.62 MAPT (0.39) LMNAKDM4E
SCHEMBL15782811 0.61 CA12 (0.39) KCNA3CA12CA9LMNAKDM4E
SCHEMBL10497731 0.61 CYP3A4 (0.43) CA12CA9LMNA
SCHEMBL23087173 0.60 MAPT (0.44) KCNA3KCNA2KCNA4KCNA5KCNA1
SCHEMBL5054764 0.60

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-116023373-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2023-04-28 CN disclosed
CN-115636819-A Luminescent material, application thereof and organic electroluminescent device comprising luminescent material 清华大学 2023-01-24 CN disclosed