SCHEMBL30747813

SCHEMBL30747813

[2H]N(c1ccc(-c2ccc(N([2H])c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)c(-c3ccccc3)c2-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
KDR P35968 3/20 0.32
THRB P10828 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL15940007 0.86 NPSR1 (0.39) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL29353292 0.86 NPSR1 (0.39) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL29385958 0.86 NPSR1 (0.39) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL11907121 0.86 NPSR1 (0.39) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL3638735 0.84 NPSR1 (0.42) L3MBTL1KDRTHRBALDH1A1HPGD
SCHEMBL17459892 0.84 NPSR1 (0.42) L3MBTL1KDRTHRBALDH1A1HPGD
SCHEMBL29402197 0.84 NPSR1 (0.42) L3MBTL1KDRTHRBALDH1A1HPGD
SCHEMBL20979811 0.84 HDAC2 (0.32) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL28139930 0.78 HSD17B1 (0.36) L3MBTL1HSD17B1HSD17B2KDRTHRB
SCHEMBL6140139 0.77 ALDH1A1 (0.37) L3MBTL1HSD17B1HSD17B2KDRALDH1A1

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
CN-117551134-A Complex and preparation method and application thereof 南京佳诺霖光电科技有限公司 2024-02-13 CN disclosed