SCHEMBL10764022

SCHEMBL10764022

C#CC[S+]([O-])c1cc(C=CC2=NNC(=O)CC2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ PTGS2 P35354 5/20 0.48
▸ PTGS1 P23219 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ PDE3B Q13370 3/20 0.39
▸ PDE3A Q14432 3/20 0.39
▸ PDE4B Q07343 4/20 0.38
▸ PDE4A P27815 2/20 0.38
▸ PDE4C Q08493 2/20 0.38
▸ PDE4D Q08499 2/20 0.38
▸ CYP19A1 P11511 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL10767555 0.92 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760421 0.86 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759679 0.85 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765731 0.82 PDE3A (0.45) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762363 0.81 LMNA (0.56) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10764503 0.80 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761210 0.80 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765902 0.79 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759912 0.78 PTGS1 (0.57) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766439 0.78 RAB9A (0.53) 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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