SCHEMBL10759653

SCHEMBL10759653

COc1ccc(S(C)(=O)=O)c(C=CC2=NNC(=O)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PTGS2 P35354 4/20 0.55
▸ PTGS1 P23219 3/20 0.55
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ PKM P14618 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ ADRA2A P08913 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ PDE4A P27815 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
SCHEMBL10759882 0.91 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760640 0.81 PTGS1 (0.70) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762629 0.81 RAB9A (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763645 0.80 PTGS2 (0.62) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763111 0.80 PTGS2 (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765745 0.80 RAB9A (0.62) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765327 0.79 PTGS2 (0.61) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760888 0.79 LMNA (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763214 0.79 PDE3B (0.43) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765510 0.78 RAB9A (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1

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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