SCHEMBL7941769

SCHEMBL7941769

CNC(=O)CCc1cc(NC(=O)c2ccc(C)o2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
KLK7 P49862 1/20 0.53
MAPT P10636 7/20 0.51
PKM P14618 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.45
BACE1 P56817 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL7933157 0.88 MAPT (0.52) POLBMAPTPKMSMN1; SMN2NPC1
SCHEMBL7942303 0.81 NPC1 (0.53) MAPTSMN1; SMN2NPC1TP53RAB9A
SCHEMBL7942306 0.79 MEN1 (0.51) MAPTPKMSMN1; SMN2NPC1RAB9A
SCHEMBL7940427 0.76 SMN1; SMN2 (0.48) POLBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7942653 0.74 BACE1 (0.46) SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL16015428 0.73 PLK1 (0.40) RAB9A
SCHEMBL7942651 0.73 BACE1 (0.47) SMN1; SMN2NPC1RAB9ABACE1
SCHEMBL20109473 0.72 MTNR1A (0.39) RAB9A
SCHEMBL8027585 0.72 MPO (0.50) POLBMAPTSMN1; SMN2RAB9AALDH1A1
SCHEMBL7933959 0.71 BACE1 (0.48) BACE1

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
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 WO disclosed