SCHEMBL2156286

SCHEMBL2156286

CCN(CC)CCN1CCn2c(c(C3CCCCC3)c3sc(C(=O)OC)cc32)-c2sccc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.32
ACHE P22303 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
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CCR6 P51684 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2157406 0.94 HTR1A (0.33) HTR1AACHEKDM4EALDH1A1LMNA
SCHEMBL2156853 0.88 ACHE (0.34) HTR1AACHE
SCHEMBL2156873 0.86 KDM4E (0.33) KDM4EALDH1A1LMNATP53GAA
SCHEMBL4394890 0.81 PRKCA (0.34) HTR1AKDM4EALDH1A1LMNATP53
SCHEMBL4386985 0.79 DRD2 (0.31) KDM4EALDH1A1LMNATP53GAA
SCHEMBL2156369 0.75 KDM4E (0.32) KDM4E
SCHEMBL2156324 0.73 KDM4E (0.36) KDM4EGAAMAPTTDP1
SCHEMBL2156557 0.73 PRKCA (0.39) KDM4EALDH1A1LMNATP53GAA
SCHEMBL4389335 0.73 HRH3 (0.35) TP53
SCHEMBL3093288 0.72 PRKCA (0.48) KDM4EALDH1A1LMNATP53GAA

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-7973026-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-05 US disclosed