SCHEMBL10762629

SCHEMBL10762629

COc1ccc([S+](C)[O-])c(C=CC2=NNC(=O)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ LMNA P02545 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ PTGS1 P23219 3/20 0.54
▸ PTGS2 P35354 3/20 0.54
▸ MAPT P10636 4/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 4/20 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
SCHEMBL10765510 0.91 RAB9A (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766648 0.81 PTGS2 (0.61) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759653 0.81 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10764503 0.81 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766220 0.81 PTGS2 (0.58) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760640 0.80 PTGS1 (0.70) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765840 0.80 PTGS2 (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765745 0.79 RAB9A (0.62) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762143 0.77 PTGS2 (0.63) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759679 0.77 SMN1; SMN2 (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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