SCHEMBL7940427

SCHEMBL7940427

CNC(=O)CCc1cc(NC(=O)c2ccc(C)cn2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
BACE1 P56817 7/20 0.46
BACE2 Q9Y5Z0 3/20 0.46
POLB P06746 1/20 0.42
CSF1R P07333 1/20 0.41
FLT3 P36888 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
GRM4 Q14833 1/20 0.41
GAA P10253 1/20 0.40
HDAC3 O15379 1/20 0.39
P4HTM Q9NXG6 2/20 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
SCHEMBL7942651 0.88 BACE1 (0.47) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL13195731 0.85 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL7942303 0.82 NPC1 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL7942653 0.80 BACE1 (0.46) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL7942075 0.80 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9ABACE1POLB
SCHEMBL12445781 0.79 BACE1 (0.47) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL7933959 0.79 BACE1 (0.48) BACE1BACE2
SCHEMBL12446185 0.78 NPC1 (0.43) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL12446234 0.78 BACE1 (0.47) SMN1; SMN2NPC1RAB9ABACE1BACE2
SCHEMBL15886228 0.78 NPC1 (0.59) SMN1; SMN2NPC1RAB9ABACE1BACE2

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