SCHEMBL7648501

SCHEMBL7648501

C=CCNc1nc(Cl)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CCNA2 P20248 4/20 0.36
CDK2 P24941 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 2/20 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
SCHEMBL7646647 0.78 GAA (0.39) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL20876859 0.77 CCNA2 (0.38) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL20321948 0.74
SCHEMBL25083683 0.74
SCHEMBL25083679 0.71 KMT2A (0.40) MAPTKMT2ACYP1A2CYP2C19MEN1
SCHEMBL24256370 0.69 ESR1 (0.47) SMN1; SMN2
SCHEMBL3414696 0.67 KMT2A (0.57) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL4856408 0.67 KMT2A (0.61) MAPTKMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL11576217 0.67 ALDH1A1 (0.51) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL24725742 0.66

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