SCHEMBL22562297

SCHEMBL22562297

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)c2C(F)(F)F)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ENPP1 P22413 1/20 0.34
NPY5R Q15761 2/20 0.34
FLT3 P36888 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PDK2 Q15119 2/20 0.31
HSD11B1 P28845 1/20 0.31
TRPA1 O75762 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 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
SCHEMBL22562301 0.94 MAPT (0.34) MAPTENPP1FLT3ALDH1A1PDK2
SCHEMBL22562299 0.91 MAPT (0.36) MAPTENPP1ALDH1A1PDK2HSD11B1
SCHEMBL22562360 0.91 PDK2 (0.36) MAPTENPP1NPY5RFLT3PDK2
SCHEMBL22562371 0.90 MEN1 (0.36) MAPTENPP1NPY5RALDH1A1MEN1
SCHEMBL22562380 0.89 NPY5R (0.35) MAPTENPP1NPY5RMEN1KMT2A
SCHEMBL22562355 0.89 ENPP1 (0.37) MAPTENPP1NPY5RALDH1A1PDK2
SCHEMBL21108061 0.89 ENPP1 (0.33) MAPTENPP1NPY5RALDH1A1HSD11B1
SCHEMBL22562354 0.88 PDK2 (0.38) MAPTENPP1ALDH1A1PDK2TRPA1
SCHEMBL22562243 0.87 MEN1 (0.38) MAPTENPP1ALDH1A1MEN1KMT2A
SCHEMBL22562382 0.86 MEN1 (0.34) MAPTENPP1ALDH1A1MEN1KMT2A

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