SCHEMBL8043904

SCHEMBL8043904

CNc1nc(OC)ccc1N.Cc1c(O)cccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.35
PDE10A Q9Y233 2/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL95212 0.84 SIRT2 (0.41) NNMTPDE10ASIRT2SIRT1KDM4E
SCHEMBL29378197 0.84 SIRT2 (0.41) NNMTPDE10ASIRT2SIRT1KDM4E
Resorcinol SCHEMBL8056965 0.84 HSD17B1 (0.41) NNMTRETKIF5BMTNR1AMTNR1B
Hydrochloric Acid SCHEMBL3391003 0.83 SIRT2 (0.40) NNMTPDE10ASIRT2SIRT1KDM4E
Hydrochloric Acid SCHEMBL31409347 0.83 SIRT2 (0.40) NNMTPDE10ASIRT2SIRT1KDM4E
Hydrochloric Acid SCHEMBL4602018 0.83 SIRT2 (0.40) NNMTPDE10ASIRT2SIRT1KDM4E
Hydrochloric Acid SCHEMBL22612465 0.81 SIRT2 (0.39) NNMTPDE10ASIRT2SIRT1KDM4E
Orcinol SCHEMBL6424543 0.81 NNMT (0.36) NNMTPDE10ARETKIF5BSIRT2
SCHEMBL8056266 0.80 CASP1 (0.50) NNMTPDE10ARETKIF5BSIRT2
Sulfuric Acid SCHEMBL8448369 0.79 NNMT (0.38) NNMTPDE10AMTNR1AMTNR1BSIRT2

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
EP-1001734-A1 DYES Henkel Kommanditgesellschaft auf Aktien (DE) 2000-05-24 EP disclosed
WO-1999006016-A1 DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-02-11 WO disclosed