SCHEMBL10763111

SCHEMBL10763111

COc1cc(S(C)(=O)=O)c(OC)cc1C=CC1=NNC(=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 6/20 0.59
▸ PTGS1 P23219 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PDE4B Q07343 2/20 0.39
▸ PDE3B Q13370 2/20 0.39
▸ PDE3A Q14432 2/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 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
SCHEMBL10763511 0.82 SMN1; SMN2 (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10760888 0.82 LMNA (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10760269 0.82 PTGS2 (0.65) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10764769 0.82 PTGS2 (0.65) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10762860 0.81 PTGS2 (0.57) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10759882 0.80 RAB9A (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761225 0.80 LMNA (0.54) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10759653 0.80 RAB9A (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10765787 0.80 PTGS2 (0.60) PTGS2PTGS1SMN1; SMN2LMNARAB9A
SCHEMBL10761814 0.79 PTGS2 (0.62) 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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