SCHEMBL10764341

SCHEMBL10764341

C=CC[S+]([O-])c1ccc(C=CC2=NNC(=O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ PDE3B Q13370 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ PTGS1 P23219 3/20 0.47
▸ PTGS2 P35354 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOB P27338 2/20 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
SCHEMBL10760906 0.86 PTGS1 (0.57) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761210 0.83 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763589 0.81 RAB9A (0.63) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766439 0.80 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760421 0.80 RAB9A (0.53) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765262 0.79 PTGS2 (0.52) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761085 0.77 PDE3B (0.54) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10763049 0.77 RAB9A (0.54) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761718 0.75 RAB9A (0.73) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10765726 0.75 RAB9A (0.55) 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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