SCHEMBL5884880

SCHEMBL5884880

CCCON=Cc1cccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HTR4 Q13639 1/20 0.40
CYP2D6 P10635 1/20 0.39
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.36
AXL P30530 1/20 0.35
BPTF Q12830 1/20 0.35

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
SCHEMBL5884626 0.94 KMT2A (0.44) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5884466 0.90 SLC6A2 (0.41) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5883939 0.90 SMN1; SMN2 (0.45) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5884648 0.89 HTR4 (0.42) LMNAKMT2AMEN1SLC6A2SLC6A4
SCHEMBL5884042 0.88 LMNA (0.42) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5884418 0.83 SLC6A2 (0.41) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5885004 0.82 HTR4 (0.42) LMNAKMT2AMEN1SLC6A2SLC6A4
SCHEMBL5884607 0.80 KMT2A (0.47) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5884560 0.80 SLC6A2 (0.46) SMN1; SMN2LMNAMAPK1HTTKMT2A
SCHEMBL5884577 0.79 SLC6A2 (0.43) SMN1; SMN2LMNAMAPK1HTTKMT2A

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed