SCHEMBL21159495

SCHEMBL21159495

CCCCCC(C)Nc1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
ADRA2A P08913 2/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
CHRM3 P20309 2/20 0.39
KCNH2 Q12809 2/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRNP P04156 1/20 0.39
APP P05067 1/20 0.39
NQO2 P16083 1/20 0.39
MTOR P42345 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL11899734 0.85 LMNA (0.35) MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7885090 0.80 LMNA (0.41) CYP2C19NR4A2MAPTLMNAALDH1A1
SCHEMBL1742733 0.79 MAPT (0.35) MAPTLMNAALDH1A1SMN1; SMN2HCAR3
SCHEMBL7720730 0.75 ALDH1A1 (0.36) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL28908267 0.74 LMNA (0.38) CYP2D6CYP2C19TDP1NR4A2MAPT
SCHEMBL7034302 0.73 IDH1 (0.38) MAPTLMNAIDO1ALDH1A1SMN1; SMN2
SCHEMBL12138409 0.72 ALDH1A1 (0.44) TDP1MAPTKDM4EHSD17B10LMNA
SCHEMBL29744939 0.71 HCAR3 (0.45) TDP1MAPTLMNAIDO1ALDH1A1
SCHEMBL20840383 0.71 PTGS1 (0.44) CYP2C19KDM4E
SCHEMBL29745027 0.70 HCAR3 (0.44) TDP1MAPTLMNAIDO1ALDH1A1

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
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed