SCHEMBL3713441

SCHEMBL3713441

Nc1cc(Nc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)nc(N)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.61
DNMT3L Q9UJW3 1/20 0.61
DNMT3A Q9Y6K1 1/20 0.61
MAPT P10636 9/20 0.59
POLB P06746 3/20 0.59
MITF O75030 2/20 0.59
MAPK1 P28482 2/20 0.59
KMT2A Q03164 9/20 0.53
MEN1 O00255 8/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
ROCK1 Q13464 1/20 0.52
HTT P42858 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
PSMB5 P28074 1/20 0.48
ALDH1A1 P00352 2/20 0.48

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
Hydrochloric Acid SCHEMBL1889952 0.99 DNMT1 (0.60) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL3709576 0.89 KMT2A (0.54) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL1886837 0.89 DNMT1 (0.80) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL1887399 0.89 DNMT1 (0.80) DNMT1DNMT3LDNMT3AMAPTPOLB
Hydrochloric Acid SCHEMBL1880955 0.88 KMT2A (0.53) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL12240516 0.85 DNMT1 (0.70) DNMT1DNMT3LDNMT3AMAPTPOLB
Hydrochloric Acid SCHEMBL1884506 0.84 DNMT1 (0.68) DNMT1DNMT3LDNMT3AMAPTPOLB
Hydrochloric Acid SCHEMBL1886368 0.84 MAPT (0.70) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL1880964 0.79 DNMT1 (0.65) DNMT1DNMT3LDNMT3AMAPTPOLB
SCHEMBL12672276 0.78 DNMT1 (0.64) DNMT1DNMT3LDNMT3AMAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205586-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SuperGen, Inc. (US) 2010-07-14 EP disclosed
WO-2009049132-A1 QUINOLINE DERIVATIVES FOR MODULATING DNA METHYLATION SUPERGEN, INC. (US) 2009-04-16 WO disclosed