SCHEMBL5884042

SCHEMBL5884042

C=CCON=Cc1cccc(OCCN2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DRD4 P21917 1/20 0.39
CYP2D6 P10635 1/20 0.38
HTR4 Q13639 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
AXL P30530 1/20 0.35
BPTF Q12830 1/20 0.34
DRD2 P14416 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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 0.91 KMT2A (0.44) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5884089 0.89 SLC6A2 (0.40) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5883893 0.89 AXL (0.41) LMNAHTTSMN1; SMN2SLC6A2SLC6A4
SCHEMBL5884880 0.88 SMN1; SMN2 (0.42) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5883939 0.87 SMN1; SMN2 (0.45) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5884173 0.87 KMT2A (0.43) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5884872 0.85 SMN1; SMN2 (0.34) LMNAMAPK1HTTSMN1; SMN2KMT2A
SCHEMBL5884418 0.81 SLC6A2 (0.41) LMNAMAPK1HTTSMN1; SMN2SLC6A2
SCHEMBL5885004 0.79 HTR4 (0.42) LMNASLC6A2SLC6A4KMT2AMEN1
SCHEMBL5884841 0.79 CHRNB2 (0.34) SMN1; SMN2KMT2AMEN1DRD4DRD2

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