SCHEMBL14178258

SCHEMBL14178258

CNCCCCCCNC(=N)OC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.42
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
SIGMAR1 Q99720 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PAOX Q6QHF9 2/20 0.30

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
SCHEMBL14178254 1.00 EPHX1 (0.42) EPHX1KDM4EMAPK1HIF1ASIGMAR1
SCHEMBL14178259 1.00 EPHX1 (0.42) EPHX1KDM4EMAPK1HIF1ASIGMAR1
SCHEMBL14178280 0.90 KDM1A (0.38) EPHX1KDM4EMEN1CYP1A2KMT2A
SCHEMBL14178269 0.90 KDM1A (0.38) EPHX1KDM4EMEN1CYP1A2KMT2A
SCHEMBL14178277 0.87 EPHX2 (0.41)
SCHEMBL14178275 0.87 S1PR2 (0.35) EPHX1KDM4AKDM4C
SCHEMBL14178264 0.87 S1PR2 (0.35) EPHX1KDM4AKDM4C
SCHEMBL14178284 0.86 EPHX2 (0.40)
SCHEMBL14178270 0.85 KDM1A (0.38) KDM4EMEN1CYP1A2KMT2APAOX
SCHEMBL14178266 0.79 KMT2A (0.50) SIGMAR1MEN1KMT2A

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-7371852-B2 Alkyl-linked nucleotide compositions SERENEX, INC. (US) 2008-05-13 US disclosed