SCHEMBL8101460

SCHEMBL8101460

CCCCN1c2cccnc2N(CCCC)c2nc([N+](=O)[O-])ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 6/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
TP53 P04637 1/20 0.33
CES1 P23141 2/20 0.33
CDC25A P30304 1/20 0.33
BRD4 O60885 1/20 0.32
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MARK4 Q96L34 1/20 0.32

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
SCHEMBL8107634 0.96 PKM (0.37) PKMPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL8103441 0.90 KDM4E (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL8101320 0.87 CYP2D6 (0.40) POLBALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL8101553 0.86 GAA (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19MAPK1
SCHEMBL8101312 0.84 HTR1A (0.39) POLBALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL8101881 0.82 ALDH1A1 (0.43) POLBALDH1A1CYP1A2MAPK1MAPT
SCHEMBL8107632 0.79 ADRA2A (0.36) POLBALDH1A1CYP1A2MAPK1MAPT
SCHEMBL8101315 0.78 ALDH1A1 (0.38) ALDH1A1MAPK1MAPTALDH2ALDH3A1
SCHEMBL8103457 0.77 ALDH1A1 (0.44) POLBALDH1A1CYP1A2MAPK1MAPT
SCHEMBL8103233 0.77 KDM4E (0.40) POLBALDH1A1CYP1A2CYP2C9CYP2C19

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