SCHEMBL6684033

SCHEMBL6684033

CNC(=O)c1ccoc1CNC(=O)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.39
ESR1 P03372 1/20 0.39
MLYCD O95822 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CFTR P13569 1/20 0.36
EPHX2 P34913 2/20 0.35
NR1H4 Q96RI1 2/20 0.35
NPC1 O15118 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
SCHEMBL765016 0.71 POLB (0.43) TDP1L3MBTL1POLBSMN1; SMN2HSD17B10
SCHEMBL6464252 0.70 CFTR (0.44) POLBSMN1; SMN2CYP3A4CYP2C9CYP2C19
SCHEMBL4476398 0.69 L3MBTL1 (0.50) L3MBTL1POLBSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL7415087 0.66 MLYCD (0.64) TDP1L3MBTL1POLBSMN1; SMN2HSD17B10
SCHEMBL4484792 0.66 USP2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL8317330 0.66 MAPK1 (0.62) TDP1POLBSMN1; SMN2CYP3A4CYP2C9
SCHEMBL166344 0.66 GAA (0.42) TDP1L3MBTL1POLBSMN1; SMN2CYP3A4
SCHEMBL5913235 0.63 EPHX2 (0.52) SMN1; SMN2HPGDEPHX2NR1H4NPC1
SCHEMBL15013037 0.62 SMN1; SMN2 (0.56) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL7850276 0.62 RIPK1 (0.49) POLBSMN1; SMN2CYP2C19ALDH1A1HPGD

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
EP-1487828-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMATORY DISEASES GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003082861-A2 MORPHOLINYL-UREA DERIVATIVES FOR USE OF THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 WO disclosed