SCHEMBL21158769

SCHEMBL21158769

c1ccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.37
MAPT P10636 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.35
PTGER4 P35408 1/20 0.35
PDK2 Q15119 1/20 0.35
TTR P02766 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
NTSR1 P30989 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 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
SCHEMBL24039806 0.99 AHR (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL24039362 0.99 AHR (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23437492 0.98 PDK2 (0.39) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL24039810 0.98 PDK2 (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL24039864 0.98 PDK2 (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23437513 0.98 PDK2 (0.39) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23437001 0.96 HCRTR1 (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL24039807 0.96 PDK2 (0.38) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL23437017 0.96 HCRTR1 (0.36) AHRMAPTKMT2AMEN1ALDH1A1
SCHEMBL22059145 0.96 HCRTR1 (0.36) AHRMAPTKMT2AMEN1ALDH1A1

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 5 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-20230024114-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2023-01-26 US disclosed
US-20220376178-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2022-11-24 US disclosed
US-20210050528-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-02-18 US disclosed
EP-3503240-A1 ORGANIC SEMICONDUCTOR LAYER Novaled GmbH (DE) 2019-06-26 EP disclosed