SCHEMBL6132627

SCHEMBL6132627

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.48
MKNK2 Q9HBH9 11/20 0.48
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
USP2 O75604 2/20 0.40
ITGA2B P08514 1/20 0.39
PIM1 P11309 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CHEK1 O14757 2/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL6135026 0.86 MKNK1 (0.47) MKNK1MKNK2PDE4DPDE7AUSP2
SCHEMBL6134578 0.84 MKNK1 (0.46) MKNK1MKNK2USP2ITGA2BPIM1
SCHEMBL6134521 0.84 MKNK1 (0.45) MKNK1MKNK2ITGA2BPIM1
SCHEMBL6134954 0.84 MKNK1 (0.47) MKNK1MKNK2USP2ALDH1A1MAPT
SCHEMBL6133900 0.83 MKNK1 (0.45) MKNK1MKNK2USP2PIM1FYN
SCHEMBL6132394 0.82 MKNK1 (0.46) MKNK1MKNK2USP2ITGA2BPIM1
SCHEMBL6132440 0.82 MKNK1 (0.41) MKNK1MKNK2USP2ALDH1A1TP53
SCHEMBL6132170 0.82 MKNK1 (0.45) MKNK1MKNK2USP2ITGA2BPIM1
SCHEMBL6132626 0.80 TP53 (0.46) PDE4DPDE7AUSP2ITGA2BTP53
SCHEMBL6134934 0.80 MKNK1 (0.47) MKNK1MKNK2PDE4DPDE7A

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