SCHEMBL28023477

SCHEMBL28023477

Fc1ccccc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
EGFR P00533 1/20 0.46
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTPRC P08575 1/20 0.43
CTSB P07858 1/20 0.43
TOP2A P11388 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42

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
SCHEMBL30634084 0.83 POLB (0.52) POLBEGFRHSD17B10KMT2AL3MBTL1
SCHEMBL21047951 0.83 POLB (0.52) POLBEGFRHSD17B10KMT2AL3MBTL1
SCHEMBL27150096 0.80 POLB (0.49) POLBEGFRHSD17B10KMT2AL3MBTL1
SCHEMBL9431344 0.79 POLB (0.47) POLBEGFRKMT2AL3MBTL1PTPRC
SCHEMBL23092860 0.77 POLB (0.55) POLBHSD17B10KMT2ACA12CA1
SCHEMBL29715410 0.77 POLB (0.55) POLBHSD17B10KMT2ACA12CA1
SCHEMBL29114639 0.77 CA12 (0.57) POLBEGFRHSD17B10KMT2AL3MBTL1
SCHEMBL27552976 0.77 POLB (0.46) POLBEGFRHSD17B10KMT2AL3MBTL1
SCHEMBL10679407 0.77 POLB (0.64) POLBHSD17B10KMT2AL3MBTL1PTPRC
SCHEMBL778637 0.77 BACE1 (0.42) POLBHSD17B10KMT2AL3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174862-B Synthesis method of benzyl sulfide 成都理工大学 2022-07-12 CN disclosed
CN-104902894-A Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME 2015-09-09 CN disclosed