SCHEMBL31336366

SCHEMBL31336366

COC(=O)c1cc(Br)c2cnn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
DGAT1 O75907 6/20 0.33
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
MAPK10 P53779 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
NOTUM Q6P988 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL23827125 1.00 GAA (0.36) GAAKDM4EMEN1TSHRKMT2A
SCHEMBL20604807 0.82 HSD17B10 (0.34) GAAKDM4EMEN1TSHRKMT2A
SCHEMBL15910578 0.81 KDM4E (0.48) GAAKDM4EMEN1TSHRKMT2A
SCHEMBL20605036 0.80 NPC1 (0.38) GAAKDM4ETSHRHSD17B10NPC1
SCHEMBL31300570 0.80 NPC1 (0.38) GAAKDM4ETSHRHSD17B10NPC1
SCHEMBL31336489 0.80 NPC1 (0.39) GAAKDM4EMEN1TSHRKMT2A
SCHEMBL1417532 0.80 NPC1 (0.39) GAAKDM4EMEN1TSHRKMT2A
SCHEMBL31460489 0.79 DGAT1 (0.34) NPC1DGAT1
SCHEMBL30855733 0.79 DGAT1 (0.39) NPC1DGAT1
SCHEMBL3719510 0.78 DGAT1 (0.33) NPC1DGAT1

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
CN-113302184-B 1,3, 4-Oxadiazolinone compounds and medicaments 日本新药株式会社 2024-11-22 CN disclosed