SCHEMBL8093559

SCHEMBL8093559

CN(C)CCCN1c2ccc([N+](=O)[O-])nc2N(CCCN(C)C)c2ccc([N+](=O)[O-])nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
PABPC1 P11940 1/20 0.42
CCR6 P51684 1/20 0.42
CHRM2 P08172 3/20 0.40
HTR1A P08908 3/20 0.40
DRD1 P21728 3/20 0.40
SLC6A4 P31645 3/20 0.40
DRD3 P35462 3/20 0.40
ADRA2A P08913 2/20 0.40
TERT O14746 1/20 0.40
PTGS1 P23219 1/20 0.40
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
RAD52 P43351 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
SCHEMBL8103181 0.96 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL8101312 0.91 HTR1A (0.39) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL8101320 0.87 CYP2D6 (0.40) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL8101553 0.84 GAA (0.38) ALDH1A1LMNASMN1; SMN2KMT2ANPSR1
SCHEMBL8103441 0.80 KDM4E (0.38) ALDH1A1LMNASMN1; SMN2KMT2ANPSR1
SCHEMBL8107634 0.76 PKM (0.37) ALDH1A1LMNAPOLBKMT2ANPSR1
SCHEMBL8101460 0.72 PKM (0.36) ALDH1A1POLBMAPTCYP1A2TP53
SCHEMBL8101317 0.71 KDM4E (0.47) ALDH1A1LMNASMN1; SMN2POLBMAPT
SCHEMBL8093557 0.67 CYP2D6 (0.51) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL30990338 0.67 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2POLBKMT2A

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