SCHEMBL8669580

SCHEMBL8669580

CCCNC(=O)Nc1[c]cccc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
SHMT2 P34897 1/20 0.40
PABPC1 P11940 1/20 0.39
ALOX15 P16050 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
SCHEMBL8666422 0.91 POLB (0.56) EPHX1NPC1RAB9AL3MBTL1HTT
SCHEMBL1665108 0.87 NPC1 (0.47) EPHX1NPC1RAB9AHTTALDH1A1
SCHEMBL3766611 0.83 KMT2A (0.50) MAPTHTTALDH1A1KMT2AMEN1
SCHEMBL3648241 0.82 LMNA (0.50) EPHX1NPC1RAB9AHTTALDH1A1
SCHEMBL9725165 0.80 SMN1; SMN2 (0.44) EPHX1NPC1RAB9AMAPTHTT
SCHEMBL5481186 0.80 RAB9A (0.34) EPHX1NPC1RAB9AHTTALDH1A1
SCHEMBL5472831 0.80 RAB9A (0.33) EPHX1NPC1RAB9AALDH1A1KMT2A
SCHEMBL8668377 0.79 LMNA (0.54) NPC1RAB9AMAPTL3MBTL1ALDH1A1
SCHEMBL3996276 0.78 SMN1; SMN2 (0.53) EPHX1NPC1RAB9AMAPTL3MBTL1
SCHEMBL5122024 0.77 MAPK1 (0.51) NPC1RAB9AMAPTHTTALDH1A1

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
US-5750552-A ANTIULCER AGENTS ARAX CO., LTD. (JP) 1998-05-12 US disclosed
EP-0736527-A1 Imadazoline derivative, possible tautomer thereof, process of manufacturing therefor, and vulnerary including such derivative or tautomer ARAX CO., LTD. (JP) 1996-10-09 EP disclosed