SCHEMBL10765840

SCHEMBL10765840

COc1c(C=CC2=NNC(=O)CC2)cccc1[S+](C)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.60
▸ PTGS1 P23219 6/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ PDE4B Q07343 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ PRMT1 Q99873 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10766648 0.86 PTGS2 (0.61) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10760909 0.82 PTGS2 (0.70) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766431 0.82 PTGS2 (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10765510 0.80 RAB9A (0.59) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10762629 0.80 RAB9A (0.59) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10763120 0.79 PDE3A (0.42) PTGS2PTGS1SMN1; SMN2MAPTPDE3B
SCHEMBL10765732 0.79 PTGS2 (0.62) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10765327 0.78 PTGS2 (0.61) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766220 0.78 PTGS2 (0.58) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10762879 0.76 PTGS2 (0.56) PTGS2PTGS1SMN1; SMN2LMNARAB9A

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
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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