SCHEMBL29947735

SCHEMBL29947735

Fc1c(F)c(F)c2c(-c3cccc(-c4ccccc4)c3)nnc(-c3cccc(-c4ccccc4)c3)c2c1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.41
MAOA P21397 1/20 0.38
KMO O15229 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
USP30 Q70CQ3 1/20 0.36
ADORA2A P29274 5/20 0.36
ADORA1 P30542 4/20 0.36
ADORA2B P29275 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL28877316 0.86 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL28877251 0.78 ALOX15 (0.40) ADORA2AADORA1
SCHEMBL28877263 0.76 KDM4E (0.40) ADORA2AADORA1ADORA2B
SCHEMBL28877328 0.73 MAPT (0.40) ADORA2AADORA1
SCHEMBL12609487 0.73 MAOA (0.44) GP6MAOAKMONISCH
SCHEMBL2401076 0.71 ALDH1A1 (0.69) GP6MAOAKMONISCH
SCHEMBL31734209 0.71 ALDH1A1 (0.69) GP6MAOAKMONISCH
SCHEMBL2731883 0.71 ALDH1A1 (0.69) GP6MAOAKMONISCH
Biphenyl SCHEMBL11687528 0.71 ALDH1A1 (0.69) GP6MAOAKMONISCH
SCHEMBL29354148 0.71 ALDH1A1 (0.69) GP6MAOAKMONISCH

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-115260245-A Iridium metal complex, application thereof and organic electroluminescent device 清华大学 2022-11-01 CN disclosed