SCHEMBL24628161

SCHEMBL24628161

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c6ccccc6c6cccc7oc4c5c76)c4ccccc34)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.39
ALDH1A1 P00352 7/20 0.38
TSHR P16473 5/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 5/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 4/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL24628293 0.91 MAPT (0.41) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24628546 0.87 ALOX5 (0.39) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24628247 0.84 MAPT (0.40) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22880067 0.84 ALOX5 (0.44) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24628577 0.84 MAPT (0.39) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24628071 0.84 MAPT (0.39) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL22825143 0.83 MAPT (0.40) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL25660663 0.83 MAPT (0.39) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24314725 0.82 ALDH1A1 (0.46) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24949928 0.82 ALOX5 (0.47) MAPTALDH1A1TSHRKDM4EPOLB

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-2022148717-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 WO disclosed