SCHEMBL28396334

SCHEMBL28396334

c1cc(Oc2cn[nH]c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
LTA4H P09960 3/20 0.35
KCNH2 Q12809 1/20 0.34
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
MMP1 P03956 2/20 0.33
LMNA P02545 2/20 0.33
CHEK1 O14757 1/20 0.33
MAPK1 P28482 1/20 0.33
APEX1 P27695 1/20 0.33
PMP22 Q01453 1/20 0.33
SCN9A Q15858 1/20 0.33
IDO1 P14902 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PDE4B Q07343 2/20 0.32
NPC1 O15118 1/20 0.32
SCN4A P35499 1/20 0.32
RAB9A P51151 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL6626234 0.83 KCNH2 (0.46) KDM4CKCNH2AKT1AKT2LMNA
SCHEMBL8540552 0.78 LMNA (0.47) LTA4HMMP1LMNAMAPK1SCN9A
SCHEMBL19630376 0.77 ALDH1A1 (0.58) MAPK1TDP1NPC1RAB9A
SCHEMBL4733455 0.72 CYP19A1 (0.53) KCNH2LMNAMAPK1SCN9APDE4B
SCHEMBL22061918 0.71 LMNA (0.44) LTA4HMMP1LMNAMAPK1SCN9A
SCHEMBL30838799 0.70 LTA4H (0.39) LTA4HMMP1LMNASCN9A
SCHEMBL1680381 0.69 LTA4H (0.67) LTA4HLMNATDP1NPC1SCN4A
SCHEMBL3373407 0.68 AKT2 (0.64) AKT1AKT2LMNACHEK1MAPK1
Ammonia Solution, Strong SCHEMBL3454484 0.67 LTA4H (0.63) LTA4HLMNATDP1NPC1SCN4A
SCHEMBL30047550 0.67 LTA4H (0.63) LTA4HLMNANPC1SCN4ARAB9A

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
CN-111116565-B 2-aryl-4- (4-pyrazolyloxy) pyridine compound, preparation method thereof, pharmaceutical composition and application thereof 中科利健制药(广州)有限公司 2020-07-14 CN disclosed
CN-111116565-A 2-aryl-4- (4-pyrazolyloxy) pyridine compound, preparation method thereof, pharmaceutical composition and application thereof 中科利健制药(广州)有限公司 2020-05-08 CN disclosed