SCHEMBL7674829

SCHEMBL7674829

Cc1ccnc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.71
F12 P00748 3/20 0.55
CA12 O43570 3/20 0.51
CA2 P00918 3/20 0.51
CA6 P23280 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
CA5B Q9Y2D0 3/20 0.51
CA3 P07451 2/20 0.51
CA4 P22748 2/20 0.51
CA5A P35218 2/20 0.50
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
CA1 P00915 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL7675753 0.86 F2 (0.73) F2F12CA12CA2CA6
SCHEMBL7679864 0.83 F2 (1.00) F2F12CA12CA2CA6
SCHEMBL18752376 0.81 F2 (0.76) F2F12CA12CA2CA6
SCHEMBL18607531 0.81 F2 (0.79) F2F12CA12CA2CA6
SCHEMBL18607529 0.81 F2 (0.78) F2F12CA12CA2CA6
SCHEMBL18752412 0.80 F2 (0.63) F2F12CA12CA2CA6
SCHEMBL7680586 0.80 F2 (0.70) F2F12CA12CA2CA6
SCHEMBL7675981 0.80 F2 (1.00) F2F12CA12CA2CA6
SCHEMBL7679485 0.79 F2 (0.69) F2F12CA12CA2CA6
SCHEMBL7681997 0.79 F2 (0.68) F2F12CA12CA2CA6

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
US-6355658-B1 COUMARIN ESTERS WITH ETHER GROUPS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2002-03-12 US disclosed