SCHEMBL10762011

SCHEMBL10762011

COc1cc(C=CC2=NNC(=O)CC2)cc(S(C)(=O)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ LMNA P02545 3/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ NPC1 O15118 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ PTGS2 P35354 5/20 0.49
▸ PTGS1 P23219 3/20 0.49
▸ XDH P47989 3/20 0.43
▸ EGFR P00533 3/20 0.41
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ CYP1A1 P04798 3/20 0.38
▸ CYP1B1 Q16678 3/20 0.38
▸ NFE2L2 Q16236 1/20 0.35
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL10764269 0.81 RAB9A (0.63) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762077 0.80 PTGS1 (0.68) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10762731 0.79 RAB9A (0.64) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766806 0.79 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10766339 0.79 LMNA (0.71) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761986 0.78 PDE3A (0.47) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759653 0.76 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10759882 0.76 RAB9A (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10760888 0.76 LMNA (0.60) RAB9ASMN1; SMN2LMNAKDM4EL3MBTL1
SCHEMBL10761225 0.76 LMNA (0.54) 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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