SCHEMBL8103439

SCHEMBL8103439

CN1c2cccnc2N(C)c2nc([N+](=O)[O-])ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.36
ACHE P22303 1/20 0.36
PDE10A Q9Y233 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
BRD4 O60885 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL8103233 0.96 KDM4E (0.40) KDM4EGAACYP1A2CYP2C9CYP2C19
SCHEMBL8101317 0.88 KDM4E (0.47) KDM4EGAACYP1A2POLBMAPT
SCHEMBL8103219 0.78 ADORA3 (0.39) GAALMNASMN1; SMN2BRD4MEN1
SCHEMBL8107634 0.77 PKM (0.37) KDM4EGAACYP1A2CYP2C9CYP2C19
SCHEMBL8101460 0.76 PKM (0.36) KDM4EGAACYP1A2CYP2C9CYP2C19
SCHEMBL7468232 0.74 ADRA2A (0.33) L3MBTL1LMNASMN1; SMN2BRD4MEN1
SCHEMBL8101312 0.74 HTR1A (0.39) KDM4ECYP1A2CYP2C19POLBMAPT
SCHEMBL8101320 0.73 CYP2D6 (0.40) KDM4ECYP1A2CYP2C19POLBMAPT
SCHEMBL8101449 0.72 MYC (0.40) GAAL3MBTL1LMNASMN1; SMN2MEN1
SCHEMBL8103434 0.69 ADRA2A (0.34) LMNASMN1; SMN2BRD4

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-6127369-A 5,10-dihydrodipyrido[2,3-b:2,3-e]pyrazin and 5,10-dihydrodipyrido[2,3-b:3,2-e]pyrazin compounds ADIR ET COMPAGNIE (FR) 2000-10-03 US disclosed