SCHEMBL10766431

SCHEMBL10766431

COc1cccc([S+](C)[O-])c1C=CC1=NNC(=O)CC1

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 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ PDE4B Q07343 3/20 0.38
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ PDE4C Q08493 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CYP1A1 P04798 3/20 0.32
▸ CYP1A2 P05177 3/20 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
SCHEMBL10765840 0.82 PTGS2 (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10760909 0.82 PTGS2 (0.70) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10764503 0.81 SMN1; SMN2 (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10759679 0.80 SMN1; SMN2 (0.59) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10763880 0.79 PDE3A (0.42) PTGS2PTGS1SMN1; SMN2MAPTPDE4B
SCHEMBL10765325 0.79 PTGS2 (0.62) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761814 0.79 PTGS2 (0.62) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766648 0.78 PTGS2 (0.61) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766220 0.78 PTGS2 (0.58) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10764764 0.76 LMNA (0.52) 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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