SCHEMBL6132394

SCHEMBL6132394

COCCCCOC1CCN(c2ccc(-c3nn4c(-c5ccc(C(=O)O)cc5)cnc4s3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.46
MKNK2 Q9HBH9 11/20 0.46
USP2 O75604 1/20 0.38
PIM1 P11309 1/20 0.37
ITGA2B P08514 1/20 0.36
PIK3CA P42336 1/20 0.36
IKBKB O14920 1/20 0.35
CHEK1 O14757 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2A1 P68400 1/20 0.35
FYN P06241 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL6132170 0.99 MKNK1 (0.45) MKNK1MKNK2USP2PIM1ITGA2B
SCHEMBL6133900 0.92 MKNK1 (0.45) MKNK1MKNK2USP2PIM1CSNK2A2
SCHEMBL6134578 0.91 MKNK1 (0.46) MKNK1MKNK2USP2PIM1ITGA2B
SCHEMBL6135099 0.89 MKNK1 (0.45) MKNK1MKNK2USP2PIM1ITGA2B
SCHEMBL6135026 0.89 MKNK1 (0.47) MKNK1MKNK2USP2PIM1ITGA2B
Hydrochloric Acid SCHEMBL6135066 0.88 MKNK1 (0.44) MKNK1MKNK2USP2PIM1ITGA2B
SCHEMBL7067920 0.85 MKNK1 (0.49) MKNK1MKNK2CHEK1CSNK2A2CSNK2A1
Hydrochloric Acid SCHEMBL6133903 0.85 MKNK1 (0.49) MKNK1MKNK2CHEK1CSNK2A2CSNK2A1
Hydrochloric Acid SCHEMBL6134792 0.85 MKNK1 (0.49) MKNK1MKNK2CHEK1CSNK2A2CSNK2A1
SCHEMBL6134693 0.84 MKNK1 (0.41) MKNK1MKNK2PIK3CAFYN

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