SCHEMBL22939852

SCHEMBL22939852

c1ccc(-c2nc(-c3ccc4oc5ccccc5c4c3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cccc5cccc3c45)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.33
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
CHEK2 O96017 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL22646853 0.95 MAPK1 (0.35) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL22986961 0.95 CHEK2 (0.35) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL22940406 0.94 ALOX5 (0.33) ALOX5MAPK1KMT2AALDH1A1HPGD
SCHEMBL24039676 0.94 CHEK2 (0.34) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL24039576 0.93 PLA2G2A (0.34) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL22939808 0.92 KMT2A (0.35) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL15593054 0.92 CHEK2 (0.36) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL22059130 0.92 CHEK2 (0.36) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL22646673 0.91 MAPK1 (0.35) ALOX5MAPK1KMT2ACHEK2ALDH1A1
SCHEMBL23437224 0.91 CHEK2 (0.34) ALOX5MAPK1KMT2ACHEK2ALDH1A1

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
US-20210036231-A1 Organic Electronic Device, Display and LIghting Devices Comprising the Same NOVALED GMBH (DE) 2021-02-04 US disclosed