SCHEMBL7866288

SCHEMBL7866288

CON=C(C)c1ccc(N(C)C)cc1.CON=CCc1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
POLQ O75417 1/20 0.36
IDO1 P14902 2/20 0.34
MAPT P10636 4/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN2B Q13224 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7783828 0.89 MEN1 (0.41) EPHX2MAOBMAOAMAPTALDH1A1
SCHEMBL7569653 0.80 IDO1 (0.50) EPHX2MAOBMAOAIDO1ALDH1A1
SCHEMBL7575928 0.75 VNN1 (0.37) MAPTKMT2APOLBGAA
SCHEMBL6815139 0.73 CA2 (0.51) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7785594 0.71 L3MBTL1 (0.46) MAOBIDO1MAPTALDH1A1SMN1; SMN2
SCHEMBL7868541 0.68 NPSR1 (0.36) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7571037 0.68 HIF1A (0.35) IDO1MAPTALDH1A1NPC1RAB9A
SCHEMBL7861383 0.67 HIF1A (0.39) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7784388 0.65 NPFFR2 (0.37) IDO1NPC1KMT2APOLBGAA
SCHEMBL7846221 0.64 KMT2A (0.43) MAOBKMT2APOLBGRIN2BGAA

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-1137632-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed