SCHEMBL19986029

SCHEMBL19986029

c1ccc2c(c1)ccc1ccc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)cc3)cc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30
BRCA1 P38398 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19986032 0.94 TDP1 (0.35) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL19986035 0.92 PIK3CD (0.33) TDP1L3MBTL1MEN1ALDH1A1POLB
SCHEMBL19986021 0.91 TDP1 (0.32) TDP1L3MBTL1SIRT2SIRT1PLA2G2A
SCHEMBL19986047 0.91 TDP1 (0.36) TDP1L3MBTL1SIRT2SIRT1MEN1
SCHEMBL19986056 0.91 PLA2G2A (0.33) L3MBTL1PLA2G2APLA2G4AMEN1ALDH1A1
SCHEMBL19986066 0.89 ALDH1A1 (0.35) PLA2G2APLA2G4AMEN1ALDH1A1POLB
SCHEMBL19986023 0.88 ALDH1A1 (0.32) L3MBTL1SIRT2SIRT1MEN1ALDH1A1
SCHEMBL19986044 0.87 TDP1 (0.38) TDP1L3MBTL1SIRT2SIRT1ALDH1A1
SCHEMBL19986020 0.87 PLA2G2A (0.38) L3MBTL1PLA2G2APLA2G4AMEN1ALDH1A1
SCHEMBL19986042 0.87 KDM4E (0.37) L3MBTL1MEN1ALDH1A1POLBTSHR

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