SCHEMBL6820709

SCHEMBL6820709

Brc1ccccc1Cn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.46
BACE1 P56817 4/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
PTGS2 P35354 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ESR1 P03372 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6817368 0.85 L3MBTL1 (0.48) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A
SCHEMBL4887683 0.79 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL6821068 0.78 HDAC1 (0.50) ALDH1A1KMT2ATHRBNPSR1MEN1
SCHEMBL28387470 0.77 ESR1 (0.53) L3MBTL1ALDH1A1KMT2APTGS2HTT
SCHEMBL9229710 0.76 L3MBTL1 (0.51) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A
SCHEMBL7799991 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A
SCHEMBL6086162 0.74 PTGS2 (0.71) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL16619184 0.74 L3MBTL1 (0.63) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A
SCHEMBL31413549 0.74 GRIK1 (0.65) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A
SCHEMBL1171837 0.74 GRIK1 (0.65) L3MBTL1ALDH1A1KMT2ABACE1MTNR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087391-A 4-indole quinazoline compound and preparation method and application thereof 郑州大学 2020-05-01 CN disclosed
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed