SCHEMBL6132626

SCHEMBL6132626

O=C(O)c1ccc(-c2cn3nc(-c4ccc(N5CCC(OC6CCCCC6)CC5)cc4)sc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CA12 O43570 8/20 0.42
CA1 P00915 8/20 0.42
CA2 P00918 8/20 0.42
CA9 Q16790 8/20 0.42
PDE4D Q08499 1/20 0.41
PDE7A Q13946 1/20 0.41
CHEK1 O14757 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.37
PPARA Q07869 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL6134854 0.86 TP53 (0.45) TP53CA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL6132999 0.85 SIRT2 (0.40) TP53CA12CA1CA2CA9
SCHEMBL6134575 0.85 TP53 (0.43) TP53CA12CA1CA2CA9
SCHEMBL6134517 0.84 TP53 (0.50) TP53CA12CA1CA2CA9
SCHEMBL6134951 0.84 CA12 (0.52) TP53CA12CA1CA2CA9
SCHEMBL7313043 0.84 TP53 (0.50) TP53CA12CA1CA2CA9
SCHEMBL6133896 0.83 TP53 (0.42) TP53CA12CA1CA2CA9
SCHEMBL6132435 0.82 HDAC3 (0.40) TP53CA12CA1CA2CA9
SCHEMBL6132169 0.82 MAPT (0.43) TP53CA12CA1CA2CA9
SCHEMBL6132918 0.81 MAPT (0.40) TP53CA12CA1CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed