SCHEMBL12712296

SCHEMBL12712296

C/C=C/C(=O)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.63
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ HTT P42858 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MAPT P10636 1/20 0.53
▸ KEAP1 Q14145 2/20 0.51
▸ NFE2L2 Q16236 2/20 0.51
▸ SLC1A3 P43003 1/20 0.49
▸ SLC1A1 P43005 1/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.46
▸ KAT2B Q92831 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL13348927 0.87 TGM2 (0.59) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13055383 0.86 LMNA (0.80) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL17227877 0.85 TGM2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL13314382 0.85 TGM2 (0.56) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL30697760 0.84 TGM2 (0.86) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL10243339 0.83 LMNA (0.71) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL16553601 0.82 HTT (0.62) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL2384157 0.81 LMNA (0.69) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL8428000 0.81 LMNA (0.69) TGM2LMNASMN1; SMN2HTTL3MBTL1
SCHEMBL5019074 0.81 LMNA (0.73) TGM2LMNASMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170198283-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2017-07-13 — — US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 — — US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 — — US disclosed
EP-2305808-B1 Templated molecules and methods for using such molecules NUEVOLUTION AS (DK) 2016-03-02 — — EP disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 — — US disclosed
US-20150315567-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2015-11-05 — — US disclosed
EP-2305808-A1 Templated molecules and methods for using such molecules Nuevolution A/S (DK) 2011-04-06 — — EP disclosed
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