SCHEMBL29625786

SCHEMBL29625786

COc1ccc2ccccc2c1Cn1c(O)nc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HTT P42858 3/20 0.47
▸ KDM4E B2RXH2 4/20 0.46
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ NPBWR1 P48145 1/20 0.42

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
SCHEMBL24953239 1.00 MEN1 (0.50) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL24953240 0.83 KDM4E (0.55) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL29625751 0.83 KDM4E (0.55) MEN1KMT2AHTTKDM4ETSHR
SCHEMBL28727071 0.80 KMT2A (0.52) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL28727021 0.72 NPBWR1 (0.54) MEN1KMT2AHTTTSHRALDH1A1
SCHEMBL8293061 0.71 PLA2G2A (0.47) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL29620186 0.70 MAPT (0.58) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL702988 0.70 MAPT (0.58) MEN1KMT2AHTTKDM4EMAPT
SCHEMBL19766698 0.70 MAPT (0.62) MEN1KMT2AMAPTHSD17B10
SCHEMBL6797257 0.69 KMT2A (0.79) MEN1KMT2AHTTKDM4ETSHR

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-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2022-04-26 — — CN disclosed
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