SCHEMBL7680586

SCHEMBL7680586

O=C(Oc1ccc(Cl)cn1)c1cc2cc(CCl)ccc2oc1=O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.70
F12 P00748 3/20 0.56
MAOB P27338 2/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.48
CA2 P00918 2/20 0.48
CA3 P07451 2/20 0.48
CA6 P23280 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
CA5A P35218 1/20 0.48
CA4 P22748 1/20 0.47

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 0.85 F2 (0.73) F2F12CA12CA2CA3
SCHEMBL14642291 0.83 F2 (0.81) F2F12MAOBMEN1KMT2A
SCHEMBL7675981 0.83 F2 (1.00) F2F12MAOBMEN1KMT2A
SCHEMBL7691959 0.81 F2 (1.00) F2F12MAOBMEN1KMT2A
SCHEMBL7678609 0.81 MAOB (0.57) F2F12MAOBMEN1KMT2A
SCHEMBL7675596 0.81 F2 (0.77) F2F12MAOBMEN1KMT2A
SCHEMBL7679148 0.81 F2 (0.69) F2F12MEN1KMT2ACA12
SCHEMBL7674829 0.80 F2 (0.71) F2F12MAOBMEN1KMT2A
SCHEMBL7679864 0.80 F2 (1.00) F2F12MAOBMEN1KMT2A
SCHEMBL14642289 0.80 F2 (0.80) F2F12MAOBMEN1KMT2A

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