SCHEMBL6219253

SCHEMBL6219253

O=C(O)C(Cc1ncc2n1C(=O)N(C1CCNCC1)C2)N1CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.36
F2 P00734 3/20 0.36
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
KDM5A P29375 1/20 0.31
CPB1 P15086 1/20 0.30

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
Hydrochloric Acid SCHEMBL948058 0.99 F10 (0.36) F10F2LMNACA12CA1
SCHEMBL6216235 0.97 F10 (0.36) F10F2CPB1
Hydrochloric Acid SCHEMBL948348 0.96 F10 (0.35) F10F2CPB1
SCHEMBL949669 0.74 F10 (0.70) F10F2
SCHEMBL951913 0.74 F2 (0.35) F10F2
SCHEMBL6219246 0.73 VNN1 (0.34) F10F2
SCHEMBL5439091 0.72 F10 (0.69) F10F2
Hydrochloric Acid SCHEMBL948053 0.72 VNN1 (0.33) F10F2
Hydrochloric Acid SCHEMBL947902 0.71 F2 (0.34) F10F2
SCHEMBL6216226 0.70 SSTR4 (0.36) F10F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 EP disclosed