SCHEMBL22992123

SCHEMBL22992123

N=C(/N=C(\N)c1cccc2oc3cc4ccccc4cc3c12)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
F2 P00734 2/20 0.35
PLG P00747 2/20 0.35
HTR2B P41595 1/20 0.34
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
F12 P00748 1/20 0.33
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
PRSS1 P07477 2/20 0.31
PLAU P00749 1/20 0.31
KLKB1 P03952 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
SCHEMBL24658275 0.90 MAPT (0.32) MAPTALDH1A1GAAKDM4EF2
SCHEMBL24907678 0.86 ALDH1A1 (0.43) MAPTALDH1A1KDM4EF2PLG
SCHEMBL24656629 0.83 ERBB2 (0.35) MAPTALDH1A1GAAKDM4EF2
SCHEMBL24655499 0.83 PRSS1 (0.40) MAPTALDH1A1PLGHTR2BPRSS1
SCHEMBL24315343 0.83 AHR (0.43) MAPTALDH1A1HTR2BKMT2ANPC1
SCHEMBL22916346 0.82 PRKAB2 (0.33) MAPTGAAF2PLGHTR2B
SCHEMBL24658033 0.82 F2 (0.42) MAPTALDH1A1GAAKDM4EF2
SCHEMBL25654459 0.81 HTR2B (0.36) MAPTALDH1A1KDM4EF2PLG
SCHEMBL25654493 0.81 PRSS1 (0.38) F2PLGHTR2BPRSS1PLAU
SCHEMBL22916636 0.80 PRKAB2 (0.35) MAPTGAAF2PLGRECQL

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-2021029598-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-02-18 WO disclosed