SCHEMBL22329314

SCHEMBL22329314

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3ccc4c(c3)sc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 1/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL26001991 0.99 HCRTR1 (0.34) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL25645882 0.98 MMP12 (0.35) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL19802203 0.97 MMP12 (0.35) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL25644266 0.97 PRKDC (0.35) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL25646015 0.95 HCRTR1 (0.35) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL25645779 0.95 MMP12 (0.34) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL22700345 0.94 CHEK2 (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL22329316 0.94 CHEK2 (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL25645850 0.94 HCRTR1 (0.34) AHRMAPTALDH1A1MEN1KMT2A
SCHEMBL26194284 0.94 BRDT (0.36) AHRMAPTALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 US disclosed
WO-2020235976-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 (KR) 2020-11-26 WO disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed