SCHEMBL10759679

SCHEMBL10759679

COc1ccc(C=CC2=NNC(=O)CC2)cc1[S+](C)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ RAB9A P51151 5/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PTGS2 P35354 5/20 0.54
▸ PTGS1 P23219 3/20 0.54
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ PDE4B Q07343 4/20 0.43
▸ PDE3B Q13370 3/20 0.43
▸ PDE3A Q14432 3/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ PDE4D Q08499 2/20 0.43
▸ APP P05067 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL10764503 0.92 SMN1; SMN2 (0.60) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10764764 0.85 LMNA (0.52) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10760421 0.85 RAB9A (0.53) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10764022 0.85 RAB9A (0.53) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10765902 0.84 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10766220 0.83 PTGS2 (0.58) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10760153 0.82 LMNA (0.56) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10765022 0.81 PTGS2 (0.54) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10762692 0.81 LMNA (0.64) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1
SCHEMBL10765667 0.80 PTGS2 (0.63) SMN1; SMN2RAB9ALMNAKDM4EL3MBTL1

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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