SCHEMBL24840755

SCHEMBL24840755

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5cccc(-c6ccc7oc8c(-c9nc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cccc8c7c6)c5c4c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
GGPS1 O95749 1/20 0.38
PTPRF P10586 2/20 0.37
PTPN2 P17706 2/20 0.37
PTPN1 P18031 2/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 4/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 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
SCHEMBL24216488 0.98 ALOX5 (0.46) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL23349449 0.96 ALOX5 (0.45) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL23349444 0.96 ALOX5 (0.48) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL25073630 0.96 ALOX5 (0.45) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL23349451 0.96 ALOX5 (0.48) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL24217146 0.96 ALOX5 (0.47) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL21784793 0.95 ALOX5 (0.45) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL23820706 0.95 ALOX5 (0.47) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL23058337 0.95 ALOX5 (0.47) ALOX5MAPTALDH1A1POLBKDM4E
SCHEMBL19502026 0.95 ALOX5 (0.49) ALOX5MAPTALDH1A1POLBKDM4E

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-20230006143-A1 MIXTURE OF TWO HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME MERCK PATENT GMBH (DE) 2023-01-05 US disclosed