SCHEMBL22562453

SCHEMBL22562453

FC(F)(F)c1c(-n2c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 5/20 0.37
HPGD P15428 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
TP53 P04637 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NTSR1 P30989 1/20 0.34
CYP11B2 P19099 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ABCG2 Q9UNQ0 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 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
SCHEMBL22562614 0.92 MEN1 (0.40) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22562337 0.91 L3MBTL1 (0.35) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22562454 0.91 MEN1 (0.37) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22562455 0.90 MEN1 (0.35) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22562325 0.88 L3MBTL1 (0.33) MEN1KMT2ARAB9AMAPTHPGD
SCHEMBL22562357 0.86 PDK2 (0.38) MEN1KMT2ARAB9AMAPTKDM4E
SCHEMBL22562298 0.86 MEN1 (0.36) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22156745 0.86 CYP11B2 (0.38) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22562478 0.86 MAT2A (0.41) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22158695 0.86 NT5E (0.36) MEN1KMT2AMAPTHPGDALDH1A1

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