SCHEMBL4556159

SCHEMBL4556159

C=CCN(O)c1c2ccccc2nc2c(OC)ccc([N+](=O)[O-])c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 4/20 0.37
NQO2 P16083 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
MAOA P21397 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL4555913 0.88 SMN1; SMN2 (0.42) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL7460001 0.86 ABCG2 (0.40) ABCG2KMT2AMEN1MAPTNQO2
SCHEMBL7712878 0.84 LMNA (0.40) ABCG2KMT2AMEN1MAPTNQO2
SCHEMBL2942736 0.82 CHRM2 (0.47) ABCG2KMT2AMEN1KDM4EMAPT
SCHEMBL4447689 0.78 MAPT (0.39) ABCG2KMT2AMEN1MAPTNPC1
SCHEMBL4556803 0.78 PIM1 (0.37) KMT2AMEN1KDM4EMAPTNPC1
SCHEMBL2918502 0.76 NQO2 (0.45) ABCG2KMT2AMEN1MAPTNQO2
SCHEMBL4556158 0.75 MEN1 (0.44) ABCG2KMT2AMEN1MAPTNQO2
SCHEMBL2914961 0.73 CHRM2 (0.53) ABCG2KMT2AMEN1KDM4EMAPT
SCHEMBL2921015 0.73 TOP2A (0.47) ABCG2KMT2AMEN1KDM4EMAPT

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-7622478-B2 1-nitroacridine/tumor inhibitor compositions TIWARI RAJ 2009-11-24 US claimed