SCHEMBL22562299

SCHEMBL22562299

Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(-c5cccc(-c6ccccc6)n5)cc(-n5c6cc(-c7ccc(C)cc7C)ccc6c6ccc(-c7ccc(C)cc7C)cc65)c4C(F)(F)F)c3c2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
PDK2 Q15119 2/20 0.33
HSD11B1 P28845 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
RAB9A P51151 2/20 0.32
ENPP1 P22413 1/20 0.32
NR1I2 O75469 1/20 0.32
EGFR P00533 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS2 P35354 1/20 0.32
OPRD1 P41143 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL22562301 0.97 MAPT (0.34) MAPTPDK2HSD11B1MEN1KMT2A
SCHEMBL22562297 0.91 MAPT (0.34) MAPTPDK2HSD11B1MEN1KMT2A
SCHEMBL22562358 0.91 PDK2 (0.38) MAPTPDK2HSD11B1MEN1KMT2A
SCHEMBL22562367 0.90 ADORA3 (0.39) MAPTMEN1KMT2ARAB9ANR1I2
SCHEMBL22562357 0.89 PDK2 (0.38) MAPTPDK2MEN1KMT2ARAB9A
SCHEMBL22562296 0.89 MEN1 (0.40) MAPTPDK2MEN1KMT2ARAB9A
SCHEMBL22562359 0.88 PDK2 (0.36) MAPTPDK2HSD11B1MEN1KMT2A
SCHEMBL22562383 0.88 MEN1 (0.33) MAPTHSD11B1MEN1KMT2ARAB9A
SCHEMBL22562298 0.86 MEN1 (0.36) MAPTPDK2MEN1KMT2ARAB9A
SCHEMBL22562369 0.86 ADORA3 (0.37) MAPTMEN1KMT2ARAB9AENPP1

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