SCHEMBL7679435

SCHEMBL7679435

O=C(Oc1cccnc1[N+](=O)[O-])c1cc2cc(CCl)ccc2oc1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.60
F12 P00748 3/20 0.52
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7681929 0.85 F2 (0.67) F2F12POLBCA12CA2
SCHEMBL7681058 0.85 F2 (0.66) F2F12NPC1RAB9ACA12
SCHEMBL7675556 0.84 F2 (0.65) F2F12POLBCA12CA2
SCHEMBL7679254 0.84 F2 (0.68) F2F12POLBCA12CA2
SCHEMBL7681232 0.83 F2 (0.68) F2F12POLBMEN1KMT2A
SCHEMBL7675753 0.81 F2 (0.73) F2F12POLBCA12CA2
SCHEMBL7675773 0.80 F2 (0.59) F2F12POLBCA12CA2
SCHEMBL7675741 0.78 F2 (0.60) F2F12POLBCA12CA9
SCHEMBL14642319 0.78 F2 (0.78) F2F12POLBCA12CA2
SCHEMBL7681326 0.78 F2 (0.67) F2F12POLB

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