SCHEMBL5709151

SCHEMBL5709151

C1CCCCCC(N2CCOCC2)CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 4/20 0.44
PHGDH O43175 1/20 0.42
MGLL Q99685 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC18A3 Q16572 1/20 0.41
OPRL1 P41146 1/20 0.40
OGFRL1 Q5TC84 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL35550 1.00 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1HRH3PHGDH
SCHEMBL1824971 1.00 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1HRH3PHGDH
SCHEMBL1827648 0.97 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL3L3MBTL1HRH3PHGDH
Methylamine SCHEMBL28019730 0.93 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL3L3MBTL1HRH3PHGDH
SCHEMBL9425142 0.92 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL25672747 0.91 L3MBTL3 (0.47) SMN1; SMN2L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL26025479 0.90 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL14907095 0.88 L3MBTL3 (0.49) SMN1; SMN2L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL3168997 0.86
SCHEMBL26112782 0.86 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL3L3MBTL1HRH3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699763-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2006-09-13 EP disclosed
EP-1608637-A1 TRIFLUOROMETHYL-THIOPHENE CARBOXYLIC ACID ANILIDES AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-12-28 EP disclosed
WO-2005063710-A1 3-TRIFLUOROMETHYL PICOLINIC ACID ANILIDES, AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2005-07-14 WO disclosed
WO-2004085419-A1 TRIFLUOROMETHYL-THIOPHENE CARBOXYLIC ACID ANILIDES AND USE THEREOF AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2004-10-07 WO disclosed