SCHEMBL10764133

SCHEMBL10764133

C#CC[S+]([O-])c1ccccc1C=CC1=NNC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.52
▸ PTGS1 P23219 3/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36

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
SCHEMBL10765262 0.84 PTGS2 (0.52) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10766648 0.82 PTGS2 (0.61) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761210 0.79 RAB9A (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10762088 0.78 PDE3A (0.42) PTGS2PTGS1LMNAMAPTPDE3B
SCHEMBL10759912 0.77 PTGS1 (0.57) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10767555 0.76 RAB9A (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10764022 0.76 RAB9A (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761925 0.75 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761709 0.75 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10759445 0.75 PTGS2 (0.66) 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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