SCHEMBL21676080

SCHEMBL21676080

c1ccc2c(c1)-c1cccc3c(-n4c5ccccc5c5c4ccc4c6ccc7ccccc7c6n(-c6cccc7ccccc67)c45)ccc-2c13

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DNMT1 P26358 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21676055 0.93 TDP1 (0.37) TDP1POLBL3MBTL1ALDH1A1HPGD
SCHEMBL21675966 0.91 L3MBTL1 (0.35) TDP1POLBL3MBTL1ALDH1A1HPGD
SCHEMBL21676164 0.89 TDP1 (0.36) TDP1POLBL3MBTL1ALDH1A1HPGD
SCHEMBL21676077 0.88 ALDH1A1 (0.33) L3MBTL1ALDH1A1HPGDTSHRMAPK1
SCHEMBL17341231 0.87 L3MBTL1 (0.40) TDP1POLBL3MBTL1ALDH1A1HPGD
SCHEMBL21676073 0.87 TDP1 (0.35) TDP1POLBL3MBTL1ALDH1A1TSHR
SCHEMBL18619345 0.87 TDP1 (0.32) TDP1POLBL3MBTL1CNR1CNR2
SCHEMBL21676065 0.87 PDE6D (0.36)
SCHEMBL18619330 0.87 TDP1 (0.32) TDP1POLBL3MBTL1CNR1CNR2
SCHEMBL21676066 0.86 L3MBTL1 (0.33) TDP1L3MBTL1ALDH1A1HPGDTSHR

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-2020026133-A1 POLYCYCLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-06 WO disclosed