SCHEMBL24628546

SCHEMBL24628546

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6ccccc6c6cccc7oc4c5c76)c3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
MAPT P10636 9/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 4/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
CDC14B O60729 1/20 0.37
CDC14A Q9UNH5 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 5/20 0.36
LMNA P02545 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL24628577 0.93 MAPT (0.39) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628071 0.93 MAPT (0.39) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628528 0.92 MEN1 (0.42) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628293 0.87 MAPT (0.41) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL24628161 0.87 MAPT (0.39) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628548 0.87 MAPT (0.36) MAPTALDH1A1TSHRKDM4EHPGD
SCHEMBL19916982 0.86 ALOX5 (0.40) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628016 0.86 MAPT (0.43) MAPTALDH1A1TSHRKDM4EPOLB
SCHEMBL19196600 0.86 CDC14B (0.45) ALOX5MAPTALDH1A1TSHRKDM4E
SCHEMBL24628013 0.86 MEN1 (0.40) ALOX5MAPTALDH1A1KDM4EPOLB

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