SCHEMBL6691053

SCHEMBL6691053

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(O)c([N+](=O)[O-])c1.O=C(Nc1ccccc1)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
MAPT P10636 6/20 0.61
KMT2A Q03164 6/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 3/20 0.61
NPC1 O15118 3/20 0.61
MAPK1 P28482 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RAB9A P51151 2/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 2/20 0.57
MYOC Q99972 1/20 0.57
CA12 O43570 5/20 0.56
CA2 P00918 5/20 0.56
CA9 Q16790 5/20 0.56
CA1 P00915 4/20 0.56
CXCR2 P25025 4/20 0.53
CXCR1 P25024 3/20 0.53
FFAR1 O14842 1/20 0.51
APP P05067 1/20 0.49

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
SCHEMBL4350025 0.99 MEN1 (0.59) MEN1MAPTKMT2ALMNAHTT
SCHEMBL4341820 0.91 MAPT (0.72) MEN1MAPTKMT2ALMNAHTT
SCHEMBL6712125 0.85 MEN1 (0.81) MEN1MAPTKMT2ALMNAHTT
SCHEMBL6691056 0.83 FFAR1 (0.47) MEN1MAPTKMT2ALMNAHTT
SCHEMBL4342380 0.82 CA12 (0.64) MEN1MAPTKMT2ALMNAHTT
SCHEMBL1602832 0.81 MAPK1 (0.51) MEN1MAPTKMT2ALMNANPC1
SCHEMBL4351078 0.80 MEN1 (0.67) MEN1MAPTKMT2ALMNAHTT
SCHEMBL11027238 0.80 MEN1 (0.88) MEN1MAPTKMT2ALMNANPC1
SCHEMBL11832409 0.80 MEN1 (0.88) MEN1MAPTKMT2ALMNANPC1
SCHEMBL22225262 0.80 FFAR1 (0.73) MEN1MAPTKMT2ALMNAHTT

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
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed