SCHEMBL22562301

SCHEMBL22562301

Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5cccc(-c6ccccc6)n5)cc(-n5c6ccccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C(F)(F)F)c3c2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ENPP1 P22413 1/20 0.32
FLT3 P36888 1/20 0.32
ALDH1A1 P00352 3/20 0.31
PDK2 Q15119 2/20 0.31
HSD11B1 P28845 1/20 0.31
NR1I2 O75469 1/20 0.30
EGFR P00533 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
TBXA2R P21731 1/20 0.30
PTGS2 P35354 1/20 0.30
OPRD1 P41143 1/20 0.30
PDE4D Q08499 1/20 0.30
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL22562299 0.97 MAPT (0.36) MAPTENPP1ALDH1A1PDK2HSD11B1
SCHEMBL22562297 0.94 MAPT (0.34) MAPTENPP1FLT3ALDH1A1PDK2
SCHEMBL22562359 0.91 PDK2 (0.36) MAPTENPP1FLT3PDK2HSD11B1
SCHEMBL22562369 0.90 ADORA3 (0.37) MAPTENPP1ALDH1A1NR1I2EGFR
SCHEMBL22562356 0.89 PDK2 (0.36) MAPTENPP1ALDH1A1PDK2MEN1
SCHEMBL22562379 0.89 MAPT (0.31) MAPTENPP1MEN1KMT2ARAB9A
SCHEMBL22562358 0.88 PDK2 (0.38) MAPTENPP1PDK2HSD11B1MEN1
SCHEMBL22562367 0.87 ADORA3 (0.39) MAPTALDH1A1NR1I2EGFRADRA2A
SCHEMBL22562357 0.86 PDK2 (0.38) MAPTENPP1PDK2MEN1KMT2A
SCHEMBL22562371 0.86 MEN1 (0.36) MAPTENPP1ALDH1A1NR1I2EGFR

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
EP-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed