SCHEMBL4447690

SCHEMBL4447690

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CHRM3 P20309 1/20 0.51
MAOA P21397 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 6/20 0.49
KDM4E B2RXH2 3/20 0.49

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
SCHEMBL2914961 0.90 CHRM2 (0.53) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2921746 0.89 CHRM2 (0.52) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL29711228 0.84 CHRM2 (0.55) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2913073 0.84 CHRM2 (0.55) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2922279 0.84 CHRM2 (0.56) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL4447686 0.84 KDM1A (0.40) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2913065 0.83 CHRM2 (0.54) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2922401 0.83 CHRM2 (0.55) CHRM2CHRM1DRD2ADRA2BADRA2C
Hydrochloric Acid SCHEMBL2924316 0.82 CHRM2 (0.54) CHRM2CHRM1DRD2ADRA2BADRA2C
SCHEMBL2916268 0.79 CHRM2 (0.60) CHRM2CHRM1DRD2ADRA2BADRA2C

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