SCHEMBL21769329

SCHEMBL21769329

CCCCCC1SCC2NC(=O)N[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HLCS P50747 6/20 1.00
TDP1 Q9NUW8 6/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA9 Q16790 6/20 0.47
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
TPSAB1 Q15661 1/20 0.44

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
SCHEMBL10038443 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813368 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL423924 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL4813371 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248300 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL11248303 1.00 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL19249123 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL21348602 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL10286412 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA
SCHEMBL12654818 0.98 HLCS (1.00) HLCSTDP1MEN1ABL1LMNA

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
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 EP disclosed