SCHEMBL4447689

SCHEMBL4447689

CCOc1ccc([N+](=O)[O-])c2c(N(O)CC)c3ccccc3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
NTSR1 P30989 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CCR6 P51684 1/20 0.39
MCL1 Q07820 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL7460001 0.82 ABCG2 (0.40) MAPTALDH1A1LMNAPIM1PIM3
SCHEMBL2912551 0.81 CHRM2 (0.52) MAPTALDH1A1LMNAPIM1PIM3
SCHEMBL7712878 0.81 LMNA (0.40) MAPTALDH1A1LMNANPSR1ABCG2
SCHEMBL4556803 0.81 PIM1 (0.37) MAPTALDH1A1LMNANPSR1PIM1
Hydrochloric Acid SCHEMBL11100232 0.80 CHRM2 (0.51) MAPTALDH1A1LMNAPIM1PIM3
SCHEMBL4447686 0.78 KDM1A (0.40) MAPTALDH1A1LMNANTSR1HPGD
SCHEMBL4447690 0.78 CHRM2 (0.51) MAPTALDH1A1LMNAHPGDABCG2
SCHEMBL4556159 0.78 ABCG2 (0.38) MAPTALDH1A1LMNAPIM1PIM3
SCHEMBL7461044 0.77 SMN1; SMN2 (0.46) MAPTALDH1A1LMNANPSR1PIM1
Hydrochloric Acid SCHEMBL11102956 0.70 CHRM2 (0.53) MAPTALDH1A1LMNAMAPK1CHRM2

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