SCHEMBL27364049

SCHEMBL27364049

c1ccc(-c2nc(-c3ccccc3)c3oc4c(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5oc5cc7ccccc7cc56)cccc4c3n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL27364041 0.95 TSHR (0.36) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL27363868 0.90 MAPT (0.33) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL27364038 0.85 TSHR (0.38) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL23597290 0.85 MAPT (0.32) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL27364034 0.84 ALDH1A1 (0.36) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL27364045 0.83 MEN1 (0.31) TSHRMAPTMEN1KMT2A
SCHEMBL27364099 0.83 ALDH1A1 (0.36) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL27363869 0.83 PIM1 (0.38) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL23597550 0.83
SCHEMBL27364122 0.82 TSHR (0.32) TSHRMAPTKDM4ELMNAMAPK1

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-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed
US-20240215277-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2024-06-27 US disclosed