SCHEMBL11530902

SCHEMBL11530902

CNC(=O)O/N=C(/CSc1ncccn1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HTT P42858 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 4/20 0.37
RGS12 O14924 2/20 0.37
DUSP10 Q9Y6W6 1/20 0.36
HPGD P15428 3/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL11530907 1.00 TSHR (0.39) TSHRKMT2ASMN1; SMN2HTTGAA
SCHEMBL11532626 0.86 KMT2A (0.54) KMT2ASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL11532623 0.86 KMT2A (0.54) KMT2ASMN1; SMN2HTTKDM4EALDH1A1
SCHEMBL11532667 0.85 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1RGS12
SCHEMBL11532668 0.85 SMN1; SMN2 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1RGS12
SCHEMBL11533124 0.81 ALDH1A1 (0.40) SMN1; SMN2HTTKDM4EALDH1A1HSD17B10
SCHEMBL11533119 0.81 ALDH1A1 (0.40) SMN1; SMN2HTTKDM4EALDH1A1HSD17B10
SCHEMBL11853020 0.80 FFAR1 (0.42) TSHRSMN1; SMN2HTTGAAL3MBTL1
SCHEMBL11533151 0.79 RAB9A (0.45) TSHRKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11533154 0.79 RAB9A (0.45) TSHRKMT2ASMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US claimed
US-4156082-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-22 US disclosed
US-4154732-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154733-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4154944-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1979-05-15 US disclosed
US-4118389-A INSECTICIDES, MITICIDES, NEMATOCIDES DIAMOND SHAMROCK CORPORATION (US) 1978-10-03 US disclosed