SCHEMBL5992596

SCHEMBL5992596

Nc1ccc2nc3ccc(N)cc3c(NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.56
▸ CA12 O43570 7/20 0.54
▸ CA1 P00915 7/20 0.54
▸ CA2 P00918 7/20 0.54
▸ CA9 Q16790 7/20 0.54
▸ PKM P14618 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RNF168 Q8IYW5 1/20 0.49
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ CAPN1 P07384 1/20 0.46

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
SCHEMBL9412852 0.80 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL29897722 0.79 CA12 (0.79) TDP1CA12CA1CA2CA9
SCHEMBL27075286 0.78 TDP1 (0.72) TDP1CA12CA1CA2CA9
SCHEMBL6034966 0.77 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL15280591 0.77 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL17208802 0.77 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL17128734 0.77 TDP1 (0.67) TDP1CA12CA1CA2CA9
SCHEMBL17933958 0.77 TDP1 (0.74) TDP1CA12CA1CA2CA9
SCHEMBL15986928 0.77 CA12 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL6372736 0.76 CA12 (0.79) TDP1CA12CA1CA2CA9

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-1627926-A1 A method to reduce false positive results Roche Diagnostics GmbH (DE) 2006-02-22 — — EP disclosed
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