SCHEMBL9168641

SCHEMBL9168641

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

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.96
▸ MEN1 O00255 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ IDE P14735 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RIN1 Q13671 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ FOLH1 Q04609 3/20 0.59
▸ CA12 O43570 4/20 0.58
▸ CA1 P00915 4/20 0.58
▸ CA2 P00918 4/20 0.58
▸ CA9 Q16790 4/20 0.58
▸ CAPN1 P07384 2/20 0.55
▸ PLCD1 P51178 1/20 0.52
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51

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
SCHEMBL9171752 0.98 TDP1 (0.96) TDP1MEN1ABL1LMNAPKM
SCHEMBL10171640 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL564538 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL31429755 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL305706 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL17776290 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL13510665 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL12424058 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
SCHEMBL305707 0.98 TDP1 (1.00) TDP1MEN1ABL1LMNAPKM
Hydrochloric Acid SCHEMBL18951952 0.97 TDP1 (0.98) 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
EP-0379949-B1 Method for the determination of HIV antibodies BOEHRINGER MANNHEIM GMBH (DE) 1995-03-29 — — EP disclosed
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