SCHEMBL10333096

SCHEMBL10333096

COCSc1ccccc1[C]=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGS2 P35354 5/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MTNR1A P48039 1/20 0.30
▸ MTNR1B P49286 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
SCHEMBL10790756 0.79 S100A4 (0.36) TDP1HSD17B10GAALMNAMAPT
SCHEMBL4390654 0.75 CYP3A4 (0.32) PTGS2HSD17B10POLBMAPTRAB9A
SCHEMBL8868904 0.72 MEN1 (0.52) TDP1HSD17B10POLBLMNAMAPT
SCHEMBL8881481 0.72 MCHR1 (0.43) GAALMNAMAPTTSHRMAPK1
SCHEMBL223271 0.72 POLB (0.55) HSD17B10POLBGAALMNAMAPT
SCHEMBL514437 0.71 ALDH1A1 (0.37) HSD17B10POLBGAALMNAMAPT
SCHEMBL23734864 0.71 MTNR1A (0.50) TDP1PTGS2POLBMAPTTSHR
SCHEMBL8505956 0.71 APOBEC3G (0.40) POLBMAPTKMT2A
SCHEMBL7394194 0.70 L3MBTL1 (0.38) LMNARAB9ASMN1; SMN2KMT2A
SCHEMBL28867399 0.69 ALDH1A1 (0.33) HSD17B10POLBTSHRKMT2A

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
US-4916128-A Thiadiazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-04-10 — — US disclosed
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