SCHEMBL22330164

SCHEMBL22330164

C1=CC(c2nc(-c3cccc4c3sc3cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)nc3c2oc2ccccc23)=CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
NPSR1 Q6W5P4 5/20 0.38
TSHR P16473 6/20 0.38
ALDH1A1 P00352 9/20 0.36
KDM4E B2RXH2 4/20 0.36
POLB P06746 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 2/20 0.34
ALOX12 P18054 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
SCHEMBL22329287 0.98 MAPT (0.37) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22196116 0.89 MAPT (0.43) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22330007 0.89 MAPT (0.43) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22330114 0.87 MAPT (0.41) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22330113 0.87 MAPT (0.41) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22195599 0.87 MAPT (0.43) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22330127 0.87 MAPT (0.43) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL22700546 0.86 MAPT (0.33) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL23686471 0.86 MAPT (0.41) MAPTKMT2AMEN1NPSR1TSHR
SCHEMBL25016618 0.86 MAPT (0.41) MAPTKMT2AMEN1NPSR1TSHR

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-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 US disclosed