SCHEMBL8107634

SCHEMBL8107634

CCCCN1c2ccc([N+](=O)[O-])nc2N(CCCC)c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
POLB P06746 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 2/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TP53 P04637 1/20 0.34
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CFTR P13569 1/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8101460 0.96 PKM (0.36) PKMPOLBCYP1A2CYP2C9CYP2C19
SCHEMBL8101553 0.90 GAA (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8101312 0.87 HTR1A (0.39) POLBCYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL8103441 0.86 KDM4E (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL8101320 0.84 CYP2D6 (0.40) POLBCYP1A2CYP2C19ALDH1A1MAPT
SCHEMBL8103457 0.81 ALDH1A1 (0.44) POLBCYP1A2ALDH1A1MAPTMAPK1
SCHEMBL8103233 0.78 KDM4E (0.40) POLBCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8103437 0.78 ALDH1A1 (0.39) CYP1A2ALDH1A1MAPTMAPK1TP53
SCHEMBL8101881 0.77 ALDH1A1 (0.43) POLBCYP1A2ALDH1A1MAPTMAPK1
SCHEMBL8103439 0.77 KDM4E (0.40) POLBCYP1A2CYP2C9CYP2C19ALDH1A1

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