SCHEMBL3945208

SCHEMBL3945208

N#Cc1cccc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2c[nH]c3cnccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 3/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSL P07711 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
ROCK2 O75116 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13942067 0.90 HTT (0.46) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3943049 0.90 HTT (0.48) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3942111 0.89 HTT (0.46) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3950411 0.89 HTT (0.36) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3950166 0.87 ROCK2 (0.37) HTTROCK2GAA
SCHEMBL13942349 0.87 HTT (0.54) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL13942061 0.86 HTT (0.52) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3951550 0.84 HTT (0.51) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3945166 0.84 HTT (0.57) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3951093 0.84 HTT (0.55) HTTKMT2AKDM4ESMN1; SMN2ALDH1A1

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
WO-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed