SCHEMBL8668367

SCHEMBL8668367

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
TK1 P04183 2/20 0.48
PNP P00491 4/20 0.44
TLR7 Q9NYK1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37

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 0.86 PNP (0.60) MEN1KMT2APNPKDM4EALDH1A1
SCHEMBL8668035 0.86 PNP (0.53) MEN1KMT2APNPKDM4EALDH1A1
SCHEMBL21393356 0.80 MEN1 (0.56) MEN1KMT2ATK1PNPTLR7
SCHEMBL18758928 0.80 MEN1 (0.53) MEN1KMT2AALDH1A1HTTHSD17B10
SCHEMBL8668697 0.80 HTT (0.37) MEN1KMT2ATK1ALDH1A1HTT
SCHEMBL8668254 0.76 PNP (0.59) MEN1KMT2APNPKDM4EALDH1A1
SCHEMBL10872975 0.75 PNP (0.73) TK1PNPHSD17B10USP2
SCHEMBL10873200 0.71 TK1 (0.59) TK1PNPHSD17B10USP2
1,4-Butanediol SCHEMBL11143138 0.71 CYP3A4 (0.73) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8673354 0.71 MEN1 (0.62) MEN1KMT2APNPTLR7ALDH1A1

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