SCHEMBL24565009

SCHEMBL24565009

N=C(/N=C(\N)c1ccc2ccccc2n1)c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
CNR2 P34972 4/20 0.44
HDAC8 Q9BY41 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCF1 P14598 1/20 0.40
NOS2 P35228 1/20 0.40
BACE1 P56817 1/20 0.40
HPGD P15428 2/20 0.39
KDM4C Q9H3R0 1/20 0.39
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL26486927 0.81 CNR2 (0.43) MGAMALDH1A1MAPTGAACNR2
SCHEMBL30506317 0.79 MGAM (0.53) MGAMALDH1A1MAPTGAACNR2
SCHEMBL1460150 0.79 MGAM (0.53) MGAMALDH1A1MAPTGAACNR2
SCHEMBL2158747 0.79 MGAM (0.53) MGAMALDH1A1MAPTGAACNR2
SCHEMBL3076973 0.78 MGAM (0.57) MGAMALDH1A1MAPTGAACNR2
SCHEMBL24170742 0.77 MGAM (0.52) MGAMALDH1A1MAPTGAACNR2
Hydrochloric Acid SCHEMBL6009217 0.77 MGAM (0.55) MGAMALDH1A1MAPTGAACNR2
Guanidine SCHEMBL28316567 0.77 MGAM (0.55) MGAMALDH1A1MAPTGAACNR2
Hydrochloric Acid SCHEMBL5729637 0.77 MGAM (0.55) MGAMALDH1A1MAPTGAACNR2
SCHEMBL5425136 0.71 MGAM (0.58) MGAMALDH1A1MAPTGAACNR2

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-2022139445-A1 ORGANIC ELECTRIC ELEMENT CONTAINING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2022-06-30 WO disclosed