SCHEMBL31056121

SCHEMBL31056121

COC(=O)c1cc(Br)c2c(c1)n(C)c(=O)n2COCC[Si](C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK10 P53779 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 2/20 0.34
CYP2D6 P10635 1/20 0.34
PPARG P37231 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 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
SCHEMBL31055924 0.85 NPC1 (0.38) NPC1SMN1; SMN2ALDH1A1RXFP1TSHR
SCHEMBL31056015 0.83 NPC1 (0.36) NPC1NPSR1ADORA2AADORA2B
SCHEMBL23827125 0.74 GAA (0.36) NPC1SMN1; SMN2MAPK10GAAKMT2A
SCHEMBL31336366 0.74 GAA (0.36) NPC1SMN1; SMN2MAPK10GAAKMT2A
SCHEMBL31300570 0.74 NPC1 (0.38) NPC1SMN1; SMN2ALDH1A1MAPK10CYP1A2
SCHEMBL20605036 0.74 NPC1 (0.38) NPC1SMN1; SMN2ALDH1A1MAPK10CYP1A2
SCHEMBL18304450 0.73 MAPK10 (0.56) SMN1; SMN2ALDH1A1MAPK10CYP1A2CYP2C9
SCHEMBL31129559 0.72 NPC1 (0.33) NPC1
SCHEMBL24607455 0.72 NPC1 (0.35) NPC1KMT2ATSHRHSD17B10
SCHEMBL31638716 0.72 NPC1 (0.41) NPC1ALDH1A1GAAKMT2APOLB

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