SCHEMBL8103441

SCHEMBL8103441

CCCCN1c2ccc([N+](=O)[O-])nc2N(CCCC)c2nc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
MGLL Q99685 2/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
NPC1 O15118 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
SCHEMBL8101553 0.95 GAA (0.38) KDM4EGAAALDH1A1LMNAGLA
SCHEMBL8101460 0.90 PKM (0.36) KDM4EGAAALDH1A1MAPTALDH2
SCHEMBL8107634 0.86 PKM (0.37) KDM4EGAAALDH1A1LMNANPSR1
SCHEMBL8103181 0.85 ALDH1A1 (0.42) KDM4EALDH1A1LMNANPSR1MAPT
SCHEMBL8093559 0.80 ALDH1A1 (0.43) KDM4EALDH1A1LMNANPSR1MAPT
SCHEMBL8101320 0.77 CYP2D6 (0.40) KDM4EALDH1A1LMNANPSR1MAPT
SCHEMBL8101367 0.73 ALDH1A1 (0.37) ALDH1A1LMNAAPOBEC3GPTGS1PTGS2
SCHEMBL8101317 0.73 KDM4E (0.47) KDM4EGAAALDH1A1LMNAAPOBEC3G
SCHEMBL8101312 0.72 HTR1A (0.39) KDM4EALDH1A1LMNANPSR1MAPT
SCHEMBL1862772 0.69 ALDH1A1 (0.47) GAAALDH1A1LMNASMN1; SMN2MEN1

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