SCHEMBL3989083

SCHEMBL3989083

O=C(O)Nc1cncc(N2CCOCC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
GSK3B P49841 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 4/20 0.46
NPC1 O15118 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAF1 P04049 2/20 0.45
BRAF P15056 2/20 0.45
HPGD P15428 1/20 0.45
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
MITF O75030 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL27866914 0.83 MAPT (0.51) MAPTGSK3BSMN1; SMN2RAB9ATP53
SCHEMBL3784845 0.83 MAPT (0.51) MAPTGSK3BSMN1; SMN2RAB9ATP53
SCHEMBL17602322 0.78 MAPT (0.45) MAPTGSK3BSMN1; SMN2TP53ALDH1A1
SCHEMBL27455977 0.78 CHRNB2 (0.61)
SCHEMBL1853814 0.78 MAPT (0.67) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL16583818 0.78 KMO (0.61) MAPTSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL31706768 0.77 KMO (0.60) MAPTGSK3BSMN1; SMN2TP53ALDH1A1
SCHEMBL686827 0.77 KMO (0.60) MAPTGSK3BSMN1; SMN2TP53ALDH1A1
SCHEMBL12205229 0.77 LRRK2 (0.51) MAPTSMN1; SMN2RAB9ATP53NPC1
SCHEMBL16106995 0.77 GPR183 (0.59) MAPTSMN1; SMN2RAB9ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP disclosed