SCHEMBL29947834

SCHEMBL29947834

Fc1c(F)c(F)c2c(-c3cccs3)nnc(-c3cccs3)c2c1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 4/20 0.43
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADORA1 P30542 2/20 0.38
ADORA2A P29274 2/20 0.38
DHFR P00374 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28877275 0.93 RPS6KB2 (0.39) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28877245 0.90 ADORA1 (0.42) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28877299 0.87 SMN1; SMN2 (0.37) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28877247 0.86 ADORA2A (0.41) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL28877284 0.81 ALDH1A1 (0.38) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL28877280 0.80 ALDH1A1 (0.45) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL29947855 0.80 ALDH1A1 (0.45) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL29352356 0.74 RPS6KB2 (0.46) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3831301 0.72 MEN1 (0.45) RPS6KB2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL820251 0.72 RPS6KB2 (0.50) RPS6KB2ALDH1A1KMT2AMEN1KDM4E

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