SCHEMBL31056181

SCHEMBL31056181

COC(=O)c1cc(Br)cc2nnn(COCC[Si](C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
DGAT1 O75907 2/20 0.33
HTT P42858 2/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 1/20 0.31
HSD17B10 Q99714 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK10 P53779 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 2/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
OPRK1 P41145 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HCAR3 P49019 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
SCHEMBL25395444 0.80 TSHR (0.34) MAPK1DGAT1HSD17B10L3MBTL1TSHR
SCHEMBL15917685 0.80 DGAT1 (0.35) DGAT1KMT2AHSD17B10L3MBTL1MAPT
SCHEMBL29495175 0.80 TSHR (0.34) MAPK1DGAT1HSD17B10L3MBTL1TSHR
SCHEMBL31056067 0.79 DGAT1 (0.33) DGAT1
SCHEMBL31056694 0.78 DGAT1 (0.35) DGAT1
SCHEMBL701543 0.77 DGAT1 (0.35) DGAT1
SCHEMBL31056157 0.77 CSNK2A2 (0.32) KMT2AKLKB1HSD17B10L3MBTL1MAPT
SCHEMBL20604807 0.76 HSD17B10 (0.34) DGAT1KMT2AKLKB1HSD17B10L3MBTL1
SCHEMBL15973235 0.74 L3MBTL1 (0.38) HTTKMT2AHSD17B10L3MBTL1TSHR
SCHEMBL31056032 0.73 DGAT1 (0.32) 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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed