SCHEMBL6132847

SCHEMBL6132847

COCCCCOc1ccc(-c2nn3c(-c4ccc(C(=O)O)cc4)cnc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 10/20 0.51
MKNK2 Q9HBH9 10/20 0.51
RARB P10826 4/20 0.47
NR1H4 Q96RI1 1/20 0.45
PIK3CA P42336 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6132721 0.92 RARB (0.59) MKNK1MKNK2RARBCSNK2A2CSNK2A1
SCHEMBL7326113 0.91 RARB (0.55) MKNK1MKNK2RARBCSNK2A2CSNK2A1
SCHEMBL7318292 0.90 MKNK1 (0.61) MKNK1MKNK2PIK3CA
SCHEMBL7321701 0.90 MKNK1 (0.61) MKNK1MKNK2PIK3CA
SCHEMBL7324612 0.90 MKNK1 (0.61) MKNK1MKNK2PIK3CA
SCHEMBL7324198 0.90 MKNK1 (0.61) MKNK1MKNK2PIK3CA
SCHEMBL6132537 0.88 MKNK1 (0.52) MKNK1MKNK2TSHR
SCHEMBL7067920 0.82 MKNK1 (0.49) MKNK1MKNK2CSNK2A2CSNK2A1
SCHEMBL6132394 0.82 MKNK1 (0.46) MKNK1MKNK2PIK3CACSNK2A2CSNK2A1
Hydrochloric Acid SCHEMBL6133903 0.82 MKNK1 (0.49) MKNK1MKNK2CSNK2A2CSNK2A1

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-1259535-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-27 EP disclosed
WO-2001060846-A1 CYCLIC HEXAPEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed