SCHEMBL6132440

SCHEMBL6132440

O=C(On1nnc2ccccc21)c1ccc(-c2cnc3sc(-c4ccc(N5CCC(OC6CCCCC6)CC5)cc4)nn23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 8/20 0.41
MKNK2 Q9HBH9 8/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC2 Q92769 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
SIRT2 Q8IXJ6 3/20 0.36
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6134883 0.87 HDAC3 (0.51) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6132450 0.86 MKNK1 (0.41) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6132164 0.85 MKNK1 (0.41) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6132435 0.85 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6133888 0.84 HDAC3 (0.43) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6132395 0.84 MKNK1 (0.42) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6134798 0.83 MKNK1 (0.41) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6538542 0.82 HDAC3 (0.51) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6135241 0.82 MKNK1 (0.40) MKNK1MKNK2HDAC3HDAC4HDAC1
SCHEMBL6132627 0.82 MKNK1 (0.48) MKNK1MKNK2USP2ALDH1A1TP53

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