SCHEMBL17241634

SCHEMBL17241634

CSCC[C@H](Nc1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ FNTA P49354 3/20 0.47
▸ FNTB P49356 3/20 0.47
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4740890 0.84 GAA (0.55) NPSR1FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL3955074 0.84 GAA (0.55) NPSR1FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL16013365 0.83 ALDH1A1 (0.48) NPSR1USP2ALDH1A1TP53ALOX15
Fluoride SCHEMBL28465175 0.83 GAA (0.53) NPSR1FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL30340371 0.81 NPC1 (0.50) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL29416376 0.81 NPC1 (0.50) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL31052770 0.81 FDPS (0.44) ALDH1A1SMN1; SMN2
SCHEMBL14052936 0.80 FDPS (0.51) ALDH1A1SMN1; SMN2
SCHEMBL14053150 0.80 FDPS (0.51) ALDH1A1SMN1; SMN2
SCHEMBL31657720 0.79 FNTA (0.52) FNTAFNTBSMN1; SMN2

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
WO-2015169723-A1 INSECTICIDAL COMPOUNDS BASED ON THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2015-11-12 — — WO disclosed
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