SCHEMBL21564530

SCHEMBL21564530

C[Si](C)(C)CCOCn1cc(CCCO)nc(N2CCNCC2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.35
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
ATP6V1B2 P21281 1/20 0.33
TBXA2R P21731 1/20 0.33
EDNRA P25101 1/20 0.33
TARBP2 Q15633 1/20 0.33
SYK P43405 2/20 0.33
EGFR P00533 1/20 0.31
IGF1R P08069 1/20 0.31
SRC P12931 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
EPHB4 P54760 1/20 0.31
TEK Q02763 1/20 0.31
KLKB1 P03952 1/20 0.31
HTR2C P28335 1/20 0.31
PDE5A O76074 1/20 0.30
KCNH2 Q12809 1/20 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
SCHEMBL21552859 0.90 DGAT1 (0.36) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL21553077 0.89 DGAT1 (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL21552864 0.88 DGAT1 (0.39) DGAT1SYKKLKB1PDE5A
SCHEMBL21552917 0.88 DGAT1 (0.37) DGAT1SYK
SCHEMBL21552990 0.87 DGAT1 (0.34) DGAT1KLKB1
SCHEMBL21552836 0.86 DGAT1 (0.35) DGAT1KLKB1
SCHEMBL21564835 0.85 DUT (0.39) DGAT1
SCHEMBL21552987 0.85 DGAT1 (0.35) DGAT1LMNAKLKB1
SCHEMBL26031616 0.84 DGAT1 (0.33) DGAT1KLKB1
SCHEMBL21553143 0.83 DGAT1 (0.37) DGAT1

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-2019217972-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2019-11-14 WO disclosed