SCHEMBL10764523

SCHEMBL10764523

C[S+]([O-])c1cccc(C=CC2=NNC(=O)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 5/20 0.67
▸ PTGS2 P35354 5/20 0.67
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PKM P14618 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PDE3B Q13370 3/20 0.43
▸ PDE3A Q14432 3/20 0.43
▸ MAOB P27338 4/20 0.37
▸ RECQL P46063 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32

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
SCHEMBL10763589 0.84 RAB9A (0.63) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10760906 0.82 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10759912 0.82 PTGS1 (0.57) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10765022 0.81 PTGS2 (0.54) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10766806 0.80 RAB9A (0.60) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10762033 0.78 PTGS1 (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10762053 0.78 PTGS1 (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10763427 0.78 PTGS1 (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10762040 0.78 PTGS1 (0.71) PTGS1PTGS2SMN1; SMN2RAB9ALMNA
SCHEMBL10763316 0.77 PDE3B (0.50) PTGS1PTGS2GAAPDE3BPDE3A

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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