SCHEMBL6132723

SCHEMBL6132723

CC1CN(C2CCN(c3ccc(-c4nn5cc(-c6ccc(C(=O)O)cc6)nc5s4)cc3)CC2)CC(C)O1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
CA12 O43570 7/20 0.40
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA9 Q16790 7/20 0.40
CHEK1 O14757 2/20 0.39
MAPT P10636 2/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
POLB P06746 1/20 0.37
PPARA Q07869 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 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
Trifluoroacetic Acid SCHEMBL6132991 0.86 ALDH1A1 (0.39) TP53KMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL6132508 0.84 USP2 (0.45) TP53USP2KMT2ACA12CA1
Hydrochloric Acid SCHEMBL6132504 0.84 USP2 (0.45) TP53USP2KMT2ACA12CA1
SCHEMBL7415861 0.82 MKNK1 (0.47) TP53USP2SMN1; SMN2KDM4EKMT2A
SCHEMBL6134854 0.80 TP53 (0.45) TP53USP2CA12CA1CA2
SCHEMBL6132626 0.79 TP53 (0.46) TP53USP2CA12CA1CA2
SCHEMBL6134575 0.78 TP53 (0.43) TP53USP2CA12CA1CA2
SCHEMBL6134951 0.78 CA12 (0.52) TP53SMN1; SMN2KDM4ECA12CA1
SCHEMBL6133896 0.77 TP53 (0.42) TP53USP2SMN1; SMN2CA12CA1
SCHEMBL6134517 0.76 TP53 (0.50) TP53CA12CA1CA2CA9

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