SCHEMBL22987005

SCHEMBL22987005

c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.34
MAPT P10636 6/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX5 P09917 1/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 4/20 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
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL24039677 0.99 AHR (0.33) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL21158473 0.99 MMP12 (0.34) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL24039579 0.98 MMP12 (0.33) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL25068743 0.96 AHR (0.36) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL23437225 0.96 AHR (0.33) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL22059156 0.95 AHR (0.34) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL24039709 0.95 AHR (0.35) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL22940406 0.95 ALOX5 (0.33) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL23437269 0.95 AHR (0.32) AHRMAPTALDH1A1HPGDKMT2A
SCHEMBL24039650 0.95 MMP12 (0.35) AHRMAPTALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed