SCHEMBL22563493

SCHEMBL22563493

N#Cc1c(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-n1c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)cc2c2cc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPK1 P28482 1/20 0.34
SQOR Q9Y6N5 1/20 0.34

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
SCHEMBL22563489 0.97 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL21279155 0.97 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL23487680 0.96 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL21279041 0.95 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL21109633 0.94 ALDH1A1 (0.36) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL19909149 0.94 KDM4E (0.41) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL23487685 0.92 KDM4E (0.38) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL19942594 0.92 ALDH1A1 (0.34) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL19919806 0.91 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1TDP1
SCHEMBL22562527 0.91 CTSS (0.39) KDM4EALDH1A1HPGDL3MBTL1TDP1

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-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed