SCHEMBL22562455

SCHEMBL22562455

FC(F)(F)c1c(-n2c3ccccc3c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)cc(-c2cccc(-c3ccccc3)n2)cc1-n1c2ccccc2c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GLA P06280 1/20 0.34
NPY5R Q15761 2/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NTSR1 P30989 1/20 0.32
CYP11B2 P19099 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL22562454 0.97 MEN1 (0.37) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL19942788 0.91 LMNA (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22562453 0.90 MEN1 (0.37) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22562266 0.89 MEN1 (0.35) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21278851 0.89 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22562612 0.89 MEN1 (0.40) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22562265 0.88 MEN1 (0.37) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL22562607 0.88 MEN1 (0.37) MEN1KMT2ARAB9AMAPTALDH1A1
SCHEMBL21108778 0.88 TSPO (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL19942793 0.87 LMNA (0.38) MEN1KMT2AMAPTALDH1A1HPGD

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