SCHEMBL8668035

SCHEMBL8668035

C=CCn1c(=O)n(CCCC)c2nc(N)[nH]c(=O)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.44
PDE4A P27815 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL8667603 0.95 PNP (0.60) PNPMEN1KMT2AMAPK1HSD17B10
SCHEMBL8668367 0.86 MEN1 (0.53) PNPMEN1KMT2AMAPK1HSD17B10
SCHEMBL18758928 0.84 MEN1 (0.53) MEN1KMT2AHSD17B10HTTL3MBTL1
SCHEMBL23449156 0.81 PNP (0.58) PNPMEN1KMT2AMAPK1HSD17B10
SCHEMBL21393356 0.79 MEN1 (0.56) PNPMEN1KMT2AMAPK1ADORA2A
SCHEMBL835360 0.79 TSHR (0.52) MEN1KMT2AMAPK1HSD17B10HTT
SCHEMBL23255226 0.78 TSHR (0.56) MEN1KMT2AMAPK1HSD17B10HTT
SCHEMBL8668254 0.77 PNP (0.59) PNPMEN1KMT2AHTTPDE4A
SCHEMBL837428 0.75 MEN1 (0.55) MEN1KMT2AMAPK1HSD17B10HTT
SCHEMBL25572309 0.74 CYP3A4 (0.50) MEN1KMT2AHTTPDE4AADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5786359-A IMMUNOSTIMULANTS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-07-28 US claimed
US-5786359-A IMMUNOSTIMULANTS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-07-28 US disclosed