SCHEMBL19960748

SCHEMBL19960748

CC(C)COC(C)(C)CNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.58
▸ MEN1 O00255 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ IDE P14735 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ RIN1 Q13671 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ CAPN1 P07384 2/20 0.51
▸ HLCS P50747 3/20 0.50
▸ F2 P00734 1/20 0.49
▸ PRSS1 P07477 1/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49

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
SCHEMBL20810620 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL15762331 0.85 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL27075284 0.84 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL19960776 0.82 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL20280336 0.82 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL13923594 0.82 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL18897508 0.81 TDP1 (0.47) TDP1MEN1ABL1LMNAPKM
SCHEMBL19543512 0.81 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL20369791 0.81 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL12352865 0.81 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM

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-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 — — WO disclosed
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