SCHEMBL6132459

SCHEMBL6132459

C[C@@H]1CN(CCCCCCCOc2ccc(Br)cc2)C[C@H](C)O1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.64
LMNA P02545 1/20 0.64
HTT P42858 2/20 0.64
TDP1 Q9NUW8 2/20 0.63
RECQL P46063 1/20 0.63
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 1/20 0.53
RAB9A P51151 1/20 0.52
EBP Q15125 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL6132590 1.00 KDM4E (0.64) KDM4ELMNAHTTTDP1RECQL
SCHEMBL6132589 1.00 KDM4E (0.64) KDM4ELMNAHTTTDP1RECQL
SCHEMBL6132461 1.00 KDM4E (0.64) KDM4ELMNAHTTTDP1RECQL
SCHEMBL6132643 0.84 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132616 0.84 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132642 0.84 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL6132613 0.84 KDM4E (0.62) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL14399556 0.81 KDM4E (0.61) KDM4ELMNAHTTTDP1ALDH1A1
SCHEMBL4094582 0.78 KDM4E (0.73) KDM4ETDP1RECQLKMT2AATM
SCHEMBL4094589 0.78 KDM4E (0.73) KDM4ETDP1RECQLKMT2AATM

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