SCHEMBL10764764

SCHEMBL10764764

COc1cc(C=CC2=NNC(=O)CC2)cc([S+](C)[O-])c1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PTGS2 P35354 4/20 0.50
▸ PTGS1 P23219 3/20 0.50
▸ MAPT P10636 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PDE3B Q13370 2/20 0.37
▸ PDE3A Q14432 2/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ HSD17B3 P37058 1/20 0.36
▸ TUBB1 Q9H4B7 6/20 0.36

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
SCHEMBL8965509 0.87 LMNA (0.63) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10764503 0.86 SMN1; SMN2 (0.60) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10760153 0.86 LMNA (0.56) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10759679 0.85 SMN1; SMN2 (0.59) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10760357 0.80 PDE3A (0.43) LMNASMN1; SMN2RAB9AKDM4EPTGS2
SCHEMBL10766220 0.80 PTGS2 (0.58) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10766056 0.80 LMNA (0.54) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10761225 0.80 LMNA (0.54) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10762879 0.78 PTGS2 (0.56) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1
SCHEMBL10766806 0.77 RAB9A (0.60) LMNASMN1; SMN2RAB9AKDM4EL3MBTL1

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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