SCHEMBL28354523

SCHEMBL28354523

c1ccc(Oc2cc(-c3ccccc3)ccn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.57
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LOX P28300 1/20 0.56
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
MAPK8 P45983 1/20 0.43
MAPK10 P53779 1/20 0.43
GLA P06280 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL23337378 0.88 LTA4H (0.48) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16404625 0.78 CNR1 (0.49) LOXL2NPC1RAB9ALOXMAPT
SCHEMBL30461696 0.77 LOXL2 (0.57) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL631841 0.77 LOXL2 (0.62) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9932200 0.77 LOXL2 (0.57) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1697728 0.77 LOXL2 (0.57) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL8285845 0.77 LOXL2 (0.57) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL17413774 0.77 LOXL2 (0.57) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL28350627 0.76 LOXL2 (0.56) LOXL2CYP1A2CYP2C9CYP2C19SMN1; SMN2
Benzene SCHEMBL27860902 0.76 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPK1MEN1

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-110746349-B Preparation method of m-difluoroalkylphenoxypyridine compound 安阳师范学院 2021-02-09 CN disclosed
CN-110746349-A Preparation method of m-difluoroalkylphenoxypyridine compound 安阳师范学院 2020-02-04 CN disclosed