SCHEMBL28083090

SCHEMBL28083090

c1ccc(Oc2ccc(-c3ccnc4c(-c5ccc(Oc6ccccc6)cc5)ccnc34)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.54
GSTP1 P09211 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SCN4A P35499 1/20 0.47
TSHR P16473 1/20 0.46
NISCH Q9Y2I1 1/20 0.45
MAPT P10636 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
RIPK1 Q13546 1/20 0.43
BTK Q06187 1/20 0.43
TLR8 Q9NR97 1/20 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
SCHEMBL4865360 0.86 LTA4H (0.49) LTA4HGSTP1ALDH1A1MEN1KMT2A
SCHEMBL27640683 0.81 LRRK2 (0.48) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL737913 0.79 LTA4H (0.49) LTA4HGSTP1ALDH1A1MEN1KMT2A
SCHEMBL28083154 0.76 CLK4 (0.53) ALDH1A1MEN1KMT2ACYP1A2NPC1
SCHEMBL7014701 0.74 CLK4 (0.61) LTA4HGSTP1ALDH1A1NPC1RAB9A
SCHEMBL197414 0.73 LTA4H (0.75) LTA4HGSTP1NPC1RAB9ASCN4A
SCHEMBL6406035 0.73 LTA4H (0.75) LTA4HGSTP1NPC1RAB9ASCN4A
SCHEMBL2860844 0.73 LTA4H (0.75) LTA4HGSTP1NPC1RAB9ASCN4A
SCHEMBL28083084 0.73 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL21882414 0.73 ENPP1 (0.48) ALDH1A1MEN1KMT2ARAB9ATSHR

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
CN-106083845-A A kind of 1,5 naphthyridine type luminous organic material compounds and synthetic method thereof and application 金陵科技学院 2016-11-09 CN disclosed