SCHEMBL25147235

SCHEMBL25147235

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6cc7oc8c(-c9ccccc9)nc(-c9ccccc9)nc8c7cc65)c4)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
MAPT P10636 10/20 0.34
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
ATM Q13315 2/20 0.34
ALDH1A1 P00352 7/20 0.34
LMNA P02545 5/20 0.34
KDM4E B2RXH2 4/20 0.34
POLB P06746 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL25147246 0.98 TSHR (0.37) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147397 0.97 TSHR (0.36) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147279 0.96 TSHR (0.36) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147263 0.96 TSHR (0.37) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25146877 0.94 TSHR (0.37) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147270 0.94 KDM4E (0.39) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147312 0.92 KDM4E (0.36) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147257 0.92 TSHR (0.38) TSHRMAPTKMT2AMEN1ATM
SCHEMBL25147330 0.92 KDM4E (0.41) TSHRMAPTKMT2AMEN1ATM
SCHEMBL19246952 0.90 TSHR (0.40) TSHRMAPTKMT2AMEN1ATM

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
WO-2023061998-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-04-20 WO disclosed