SCHEMBL29949019

SCHEMBL29949019

Nc1nc(Cc2cccc3nsnc23)co1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ ALDH1A1 P00352 6/20 0.35
▸ HPGD P15428 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ CASP1 P29466 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ TDP2 O95551 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ NPC1 O15118 2/20 0.31

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
SCHEMBL25399698 0.70 MAPT (0.57) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL14944881 0.69 KDM4E (0.55) MAPTKDM4EHSD17B10HIF1AMEN1
Hydrochloric Acid SCHEMBL25401492 0.69 MAPT (0.55) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL3755874 0.69 KDM4E (0.40) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL4678156 0.67 KDM4E (0.52) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL762893 0.67 KMT2A (0.56) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL2805013 0.67 KDM4E (0.52) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL7718402 0.67 KDM4E (0.52) MAPTKDM4EHSD17B10HIF1AMEN1
SCHEMBL29194643 0.66 PIK3CD (0.41) KDM4ETSHRLMNA
SCHEMBL13940123 0.66 ALDH1A1 (0.49) MAPTKDM4EHSD17B10HIF1AMEN1

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
EP-4313973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2024-02-07 — — EP disclosed
WO-2022200162-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACECION PHARMA APS (DK) 2022-09-29 — — WO disclosed
Send feedback