SCHEMBL27364522

SCHEMBL27364522

c1ccc(-c2nc(-c3ccc4oc5cccc(-n6c7ccccc7c7c8ccccc8ccc76)c5c4c3)nc3c2oc2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.37
TSHR P16473 5/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 10/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 3/20 0.35
LMNA P02545 5/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
TERT O14746 2/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL24118998 0.89 MAPT (0.37) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL26855421 0.87 TSHR (0.34) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL18273218 0.87 TSHR (0.39) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL24118942 0.86 TSHR (0.35) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL24363359 0.86 ABCG2 (0.35) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL26855980 0.86 TSHR (0.34) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL18273196 0.85 TSHR (0.38) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL27081847 0.85 PIM1 (0.35) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL30019744 0.85 PIM1 (0.35) ALDH1A1TSHRHPGDMAPTKDM4E
SCHEMBL27364094 0.85 ALDH1A1 (0.33) ALDH1A1TSHRHPGDMAPTKDM4E

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