SCHEMBL7646647

SCHEMBL7646647

C=CCNc1nsc(NCC=C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 2/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 1/20 0.37
CCNA2 P20248 4/20 0.33
CDK2 P24941 4/20 0.33

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
SCHEMBL7648501 0.78 MAPT (0.43) GAAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL3237315 0.73 GAA (0.53) GAAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL11498206 0.68 GAA (0.46) GAAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL11779167 0.67 ALDH1A1 (0.59) GAAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL9405274 0.65
SCHEMBL11069846 0.64
SCHEMBL11069840 0.64
SCHEMBL23808297 0.64 GBA1 (0.46) GAAMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL276285 0.64 GAA (0.46) GAAMAPTKMT2AMEN1CYP1A2
SCHEMBL11195162 0.64 GAA (0.46) GAAMAPTSMN1; SMN2KMT2ANPC1

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
US-20020002171-A1 Materials and methods for killing nematodes and nematode eggs AKKADIX CORPORATION 2002-01-03 US disclosed
WO-2001054506-A1 METHODS FOR KILLING NEMATODES AND NEMATODE EGGS USING BIS-AMINO-1,2,4-THIADIAZOLES AKKADIX CORPORATION (US) 2001-08-02 WO disclosed