SCHEMBL23028804

SCHEMBL23028804

Cc1cccc2c1C(c1ccc(-c3nc4ccccc4nc3-c3ccccc3)cc1)(c1ccccc1S)c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
AKT1 P31749 3/20 0.37
AKT2 P31751 3/20 0.37
L3MBTL1 Q9Y468 6/20 0.36
KDM4E B2RXH2 5/20 0.36
LMNA P02545 4/20 0.36
ALDH1A1 P00352 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE10A Q9Y233 1/20 0.34
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DHODH Q02127 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
SCHEMBL23028832 0.79 L3MBTL1 (0.40) TDP1AKT1AKT2L3MBTL1KDM4E
SCHEMBL23028808 0.71 MEN1 (0.52) KDM4EALDH1A1NPSR1GAAMEN1
SCHEMBL23028806 0.71 MEN1 (0.33) TDP1KDM4ELMNAALDH1A1GAA
SCHEMBL23028813 0.70 L3MBTL1 (0.38) L3MBTL1KDM4ELMNAALDH1A1MEN1
SCHEMBL23814650 0.69 L3MBTL1 (0.41) TDP1AKT1AKT2L3MBTL1KDM4E
SCHEMBL23028809 0.66 MEN1 (0.46) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL21732802 0.66 L3MBTL1 (0.39) TDP1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL23028819 0.66 KDM4E (0.46) TDP1AKT1AKT2L3MBTL1KDM4E
SCHEMBL23028831 0.65 MEN1 (0.41) L3MBTL1KDM4ELMNAALDH1A1MEN1
SCHEMBL23028824 0.65 MEN1 (0.42) TDP1KDM4ELMNAMEN1KMT2A

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-2021034089-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-25 WO disclosed