SCHEMBL21777692

SCHEMBL21777692

O=C(c1cccc2ccccc12)n1ccc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 1/20 0.56
NOTUM Q6P988 1/20 0.54
BCHE P06276 1/20 0.51
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CNR2 P34972 7/20 0.48
MMP3 P08254 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
CNR1 P21554 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SLC6A3 Q01959 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL22956030 0.84 OXER1 (0.50) TSHRRAB9AL3MBTL1MAPTBCHE
SCHEMBL22955594 0.84 OXER1 (0.50) TSHRRAB9AL3MBTL1MAPTBCHE
SCHEMBL9654115 0.83 L3MBTL1 (0.69) TSHRRAB9AL3MBTL1NOTUMNR4A1
SCHEMBL6331985 0.81 CNR2 (0.54) TSHRRAB9AL3MBTL1MAPTNOTUM
SCHEMBL6331989 0.81 MAPT (0.51) MAPTCNR2CNR1ALDH1A1LMNA
SCHEMBL6400993 0.81 MTNR1A (0.55) TSHRRAB9AL3MBTL1MAPTNOTUM
SCHEMBL8447109 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1MAPTNOTUM
SCHEMBL28921429 0.80 L3MBTL1 (0.60) TSHRRAB9AL3MBTL1NOTUMALDH1A1
SCHEMBL29494636 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1MAPTNOTUM
SCHEMBL28529485 0.80 RAB9A (0.60) TSHRRAB9AL3MBTL1MAPTNOTUM

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-2020046210-A1 A MOLECULARLY IMPRINTED POLYMER AND METHOD OF MAKING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-03-05 WO disclosed