SCHEMBL28597282

SCHEMBL28597282

Clc1cccc(Cl)c1COc1cccnc1NC1=COCO1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 4/20 0.43
SGMS1 Q86VZ5 2/20 0.43
GCK P35557 6/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
PPIA P62937 1/20 0.37
GRM5 P41594 1/20 0.37
MET P08581 1/20 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
SCHEMBL28597283 0.79 SGMS2 (0.43) SGMS2SGMS1GCKPKMSMN1; SMN2
SCHEMBL488883 0.73 SGMS2 (0.56) SGMS2SGMS1GCKPKMSMN1; SMN2
SCHEMBL2337781 0.72 GCK (0.71) GCKGRM5
SCHEMBL488951 0.70 NPC1 (0.61) SGMS2SGMS1PKMSMN1; SMN2MET
SCHEMBL487772 0.68 PTGER1 (0.33) SGMS2SGMS1PKMSMN1; SMN2MET
SCHEMBL488725 0.67 NPC1 (0.66) SGMS2SMN1; SMN2
SCHEMBL488950 0.66 MET (0.57) MET
SCHEMBL488882 0.66 GABRP (0.44)
SCHEMBL9126866 0.66 PPIA (0.52) SGMS2SGMS1SMN1; SMN2PPIA
SCHEMBL9126609 0.66 PPIA (0.53) SGMS2SGMS1PPIA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed
CN-113181362-A Agent for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2021-07-30 CN disclosed