SCHEMBL31135781

SCHEMBL31135781

CC(C)(C)OC(=O)NCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.61
▸ PKM P14618 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ ABL1 P00519 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ IDE P14735 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ RIN1 Q13671 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ F2 P00734 1/20 0.56
▸ PRSS1 P07477 1/20 0.56
▸ PRSS2 P07478 1/20 0.56
▸ PRSS3 P35030 1/20 0.56
▸ TPSAB1 Q15661 1/20 0.56
▸ PLCD1 P51178 1/20 0.52

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
SCHEMBL30735993 1.00 TDP1 (0.61) TDP1PKMMEN1ABL1LMNA
SCHEMBL31135784 1.00 TDP1 (0.61) TDP1PKMMEN1ABL1LMNA
SCHEMBL13888579 0.97 TDP1 (0.58) TDP1PKMMEN1ABL1LMNA
SCHEMBL20042594 0.97 TDP1 (0.62) TDP1PKMMEN1ABL1LMNA
SCHEMBL20711508 0.97 TDP1 (0.62) TDP1PKMMEN1ABL1LMNA
SCHEMBL4740816 0.97 TDP1 (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL15482071 0.96 TDP1 (0.64) TDP1PKMMEN1ABL1LMNA
SCHEMBL13049575 0.96 TDP1 (0.64) TDP1PKMMEN1ABL1LMNA
SCHEMBL4904852 0.96 TDP1 (0.64) TDP1PKMMEN1ABL1LMNA
SCHEMBL10277136 0.96 TDP1 (0.64) TDP1PKMMEN1ABL1LMNA

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
CN-118777178-A Two-step fluorescence labeling flow method for detecting cell surface azide and application thereof 杭州瑞奥生物医药有限公司 2024-10-15 — — CN disclosed
CN-118603851-A Two-step fluorescence labeling flow method for detecting cell surface azide and application thereof 杭州瑞奥生物医药有限公司 2024-09-06 — — CN disclosed
Send feedback