SCHEMBL19986047

SCHEMBL19986047

c1ccc2c(c1)ccc1ccc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
ALDH1A1 P00352 6/20 0.33
HSD17B10 Q99714 3/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
KDM4E B2RXH2 4/20 0.32
GLA P06280 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
PPARG P37231 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL19986044 0.94 TDP1 (0.38) TDP1L3MBTL1SIRT2SIRT1ALDH1A1
SCHEMBL19986027 0.91 RAB9A (0.35) TDP1L3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL19986029 0.91 TDP1 (0.33) TDP1L3MBTL1SIRT2SIRT1ALDH1A1
SCHEMBL19986058 0.90 RXFP1 (0.34) TDP1L3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL19986021 0.89 TDP1 (0.32) TDP1L3MBTL1SIRT2SIRT1ALDH1A1
SCHEMBL19986052 0.88 ALDH1A1 (0.38) TDP1ALDH1A1HSD17B10KDM4EMAPT
SCHEMBL19986032 0.88 TDP1 (0.35) TDP1L3MBTL1SIRT2SIRT1CYP1B1
SCHEMBL19986055 0.86 TDP1 (0.34) TDP1L3MBTL1SIRT2SIRT1ALDH1A1
SCHEMBL19986085 0.85 AHR (0.38) TDP1L3MBTL1ALDH1A1HSD17B10KDM4E
SCHEMBL19986023 0.85 ALDH1A1 (0.32) L3MBTL1SIRT2SIRT1ALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed