SCHEMBL4556804

SCHEMBL4556804

C=CCc1ccc([N+](=O)[O-])c2c(NCCO)c3ccccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MITF O75030 2/20 0.49
HTT P42858 2/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
TLR9 Q9NR96 1/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADORA2A P29274 1/20 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
SCHEMBL4556802 0.83 CHRM2 (0.39) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL2913073 0.82 CHRM2 (0.55) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL29711228 0.82 CHRM2 (0.55) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL2913065 0.81 CHRM2 (0.54) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL2914961 0.80 CHRM2 (0.53) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL2921746 0.79 CHRM2 (0.52) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL2912554 0.78 CHRM2 (0.73) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL31447589 0.78 CHRM2 (0.73) MAPTMEN1KMT2ALMNAKDM4E
SCHEMBL4447690 0.78 CHRM2 (0.51) MAPTMEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL2923090 0.77 CHRM2 (0.72) MAPTMEN1KMT2ALMNAKDM4E

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