SCHEMBL16329976

SCHEMBL16329976

CN[C@@H](CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.71
▸ FOLH1 Q04609 3/20 0.59
▸ CAPN1 P07384 2/20 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
▸ 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
▸ PLCD1 P51178 1/20 0.52
▸ ITGB1 P05556 1/20 0.52
▸ ITGA4 P13612 1/20 0.52
▸ F2 P00734 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
SCHEMBL14960415 0.93 TDP1 (0.69) TDP1FOLH1CAPN1CA12CA1
SCHEMBL16329977 0.91 TDP1 (0.69) TDP1FOLH1CAPN1CA12CA1
SCHEMBL22630686 0.90 TDP1 (0.68) TDP1FOLH1CAPN1CA12CA1
SCHEMBL19399628 0.89 TDP1 (0.66) TDP1FOLH1CAPN1CA12CA1
SCHEMBL22630685 0.89 TDP1 (0.71) TDP1FOLH1CAPN1CA12CA1
SCHEMBL16315922 0.88 TDP1 (0.74) TDP1FOLH1CAPN1CA12CA1
SCHEMBL14524616 0.88 TDP1 (0.74) TDP1FOLH1CAPN1CA12CA1
SCHEMBL23745168 0.87 TDP1 (0.85) TDP1FOLH1CAPN1CA12CA1
SCHEMBL20417372 0.87 TDP1 (0.85) TDP1FOLH1CAPN1CA12CA1
SCHEMBL12372458 0.87 TDP1 (0.85) TDP1FOLH1CAPN1CA12CA1

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
US-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 — — US disclosed
Send feedback