SCHEMBL6132711

SCHEMBL6132711

COC(=O)c1ccc(-c2nnc(-c3ccc(N4CC(C)OC(C)C4)cc3)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.42
PDE7A Q13946 1/20 0.42
RAB9A P51151 2/20 0.42
AURKA O14965 1/20 0.41
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
GRM2 Q14416 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL6132709 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6132938 0.87 CSNK2A2 (0.48) ALDH1A1MAPTRAB9APTPRFPTPN2
SCHEMBL6132936 0.87 CSNK2A2 (0.48) ALDH1A1MAPTRAB9APTPRFPTPN2
SCHEMBL6132481 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6132480 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL7339724 0.81 ALDH1A1 (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6132728 0.80 MAPT (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6132730 0.80 MAPT (0.52) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL6132521 0.80 HDAC3 (0.51) ALDH1A1KMT2AMEN1GAARAB9A
SCHEMBL6134997 0.77 HRH3 (0.47) ALDH1A1KMT2AMEN1PDE4DPDE7A

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