SCHEMBL5314587

SCHEMBL5314587

CN(C)c1cccc(C(=O)O)c1C(=O)O.O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 5/20 0.48
HCAR3 P49019 1/20 0.48
POLB P06746 1/20 0.46
TP53 P04637 2/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDC25B P30305 1/20 0.41
GAA P10253 2/20 0.41
DNA2 P51530 1/20 0.40
CASP6 P55212 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39

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
SCHEMBL29351965 0.86 TDP1 (0.66) KDM4EGLATSHRTDP1L3MBTL1
SCHEMBL15869336 0.86 TDP1 (0.66) KDM4EGLATSHRTDP1L3MBTL1
SCHEMBL304456 0.86 TDP1 (0.66) KDM4EGLATSHRTDP1L3MBTL1
SCHEMBL5314590 0.85 L3MBTL1 (0.49) KDM4EGLATSHRTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL5572316 0.85 TDP1 (0.64) KDM4EGLATSHRTDP1L3MBTL1
SCHEMBL22463128 0.85 TDP1 (0.64) KDM4ETSHRTDP1L3MBTL1ALDH1A1
SCHEMBL27771198 0.85 TDP1 (0.64) KDM4EGLATSHRTDP1L3MBTL1
Water SCHEMBL22463120 0.85 TDP1 (0.64) KDM4EGLATSHRTDP1L3MBTL1
Ammonia Solution, Strong SCHEMBL5572312 0.85 TDP1 (0.64) KDM4EGLATSHRTDP1L3MBTL1
SCHEMBL11352627 0.85 TDP1 (0.64) KDM4EGLATSHRTDP1L3MBTL1

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-2007071927-A2 FLUORESCENT DYES AND COMPLEXES CAMBRIDGE ENTERPRISE LIMITED (GB) 2007-06-28 WO disclosed