SCHEMBL5799748

SCHEMBL5799748

CO[Si](C)(C)C(C)Nc1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.33
ALDH1A1 P00352 4/20 0.33
PDE2A O00408 1/20 0.32
KMT2A Q03164 4/20 0.31
MEN1 O00255 3/20 0.31
GAA P10253 2/20 0.31
MBOAT4 Q96T53 1/20 0.31
ENPP1 P22413 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
GFER P55789 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7262159 0.87 LMNA (0.39) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL5802072 0.85 MAPK1 (0.34) CRHR1ALDH1A1KMT2AMEN1GAA
SCHEMBL4819474 0.83 ALDH1A1 (0.34) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL4819838 0.83 ALDH1A1 (0.34) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL5936228 0.83 CRHR1 (0.38) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL5802390 0.82 CRHR1 (0.34) CRHR1LMNAALDH1A1KMT2AMBOAT4
SCHEMBL5802573 0.81 ALDH1A1 (0.35) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL3174833 0.80 LMNA (0.36) CRHR1LMNAALDH1A1PDE2AKMT2A
SCHEMBL5799864 0.80 GAA (0.36) CRHR1LMNAALDH1A1KMT2AMEN1
SCHEMBL3180998 0.80 LMNA (0.38) LMNAALDH1A1PDE2AKMT2AMEN1

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-2006066874-A1 NOVEL TRIAZOLOPYRIMIDINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-29 WO disclosed