SCHEMBL6132712

SCHEMBL6132712

COC(=O)c1ccc(S(=O)(=O)CCCCCCCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
GRK2 P25098 1/20 0.55
MAPK1 P28482 1/20 0.55
RECQL P46063 1/20 0.55
KMT2A Q03164 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
POLB P06746 2/20 0.47
FBP1 P09467 1/20 0.47
CYP4A11 Q02928 2/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.45
CYP4F2 P78329 1/20 0.45
GLA P06280 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3715614 0.95 LMNA (0.56) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL7086075 0.88 THRA (0.59) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL6132306 0.87 LMNA (0.51) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL12491991 0.83 LMNA (0.53) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL7905315 0.81 LMNA (0.57) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL20300448 0.80 KMT2A (0.58) LMNAGRK2MAPK1RECQLKMT2A
Hydrochloric Acid SCHEMBL445147 0.78 CA12 (0.55) LMNAGRK2MAPK1RECQLKMT2A
SCHEMBL5453594 0.77 ALDH1A1 (0.71) LMNARECQLKMT2ACA2THRA
SCHEMBL2733942 0.77 ALDH1A1 (0.71) LMNARECQLKMT2ACA2THRA
SCHEMBL2162519 0.76 CYP4A11 (0.72) MAPK1KMT2ACA12CA1CA2

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