SCHEMBL10765327

SCHEMBL10765327

COc1c(C=CC2=NNC(=O)CC2)cccc1S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.61
▸ PTGS1 P23219 6/20 0.61
▸ LMNA P02545 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ BRD4 O60885 1/20 0.36
▸ CREBBP Q92793 1/20 0.36
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ MAOB P27338 1/20 0.34
▸ PDE4B Q07343 2/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4C Q08493 1/20 0.33

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
SCHEMBL10763645 0.85 PTGS2 (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10761814 0.82 PTGS2 (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10761169 0.81 PTGS2 (0.72) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10765732 0.80 PTGS2 (0.62) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10759882 0.79 RAB9A (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10759653 0.79 RAB9A (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763333 0.79 CREBBP (0.43) PTGS2PTGS1BRD4CREBBPPDE3B
SCHEMBL10765840 0.78 PTGS2 (0.60) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10763111 0.78 PTGS2 (0.59) PTGS2PTGS1LMNARAB9ASMN1; SMN2
SCHEMBL10761225 0.77 LMNA (0.54) PTGS2PTGS1LMNARAB9ASMN1; SMN2

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
Send feedback