SCHEMBL23723306

SCHEMBL23723306

C#CCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 5/20 0.68
TDP1 Q9NUW8 5/20 0.65
PKM P14618 2/20 0.61
MEN1 O00255 1/20 0.61
ABL1 P00519 1/20 0.61
LMNA P02545 1/20 0.61
IDE P14735 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
RIN1 Q13671 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
TPSAB1 Q15661 1/20 0.54

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
SCHEMBL26633080 1.00 HLCS (0.68) HLCSTDP1PKMMEN1ABL1
SCHEMBL16747698 0.94 HLCS (0.70) HLCSTDP1PKMMEN1ABL1
SCHEMBL23555455 0.94 HLCS (0.72) HLCSTDP1PKMMEN1ABL1
SCHEMBL3177675 0.90 TDP1 (0.66) HLCSTDP1PKMMEN1ABL1
SCHEMBL9412852 0.90 TDP1 (0.74) HLCSTDP1PKMMEN1ABL1
SCHEMBL13123264 0.89 TDP1 (0.60) HLCSTDP1PKMMEN1ABL1
SCHEMBL10014930 0.89 F2 (0.65) HLCSTDP1PKMMEN1ABL1
SCHEMBL23777451 0.89 TDP1 (0.65) HLCSTDP1PKMMEN1ABL1
SCHEMBL24040258 0.89 TDP1 (0.65) HLCSTDP1PKMMEN1ABL1
SCHEMBL21606801 0.89 TDP1 (0.65) HLCSTDP1PKMMEN1ABL1

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-2021155439-A1 BIOPROBES FOR LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2021-08-12 WO disclosed