SCHEMBL19986044

SCHEMBL19986044

c1ccc2c(c1)ccc1cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPRT1 P00492 3/20 0.33
CYP1A2 P05177 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 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
SCHEMBL19986047 0.94 TDP1 (0.36) TDP1L3MBTL1HPRT1CYP1A2SIRT2
SCHEMBL19986027 0.93 RAB9A (0.35) TDP1L3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL19986032 0.91 TDP1 (0.35) TDP1L3MBTL1HPRT1CYP1A2ERBB2
SCHEMBL19986055 0.89 TDP1 (0.34) TDP1L3MBTL1CYP1A2ERBB2FYN
SCHEMBL19986058 0.89 RXFP1 (0.34) TDP1L3MBTL1AHRHSD17B10ALDH1A1
SCHEMBL19986029 0.87 TDP1 (0.33) TDP1L3MBTL1SIRT2SIRT1HSD17B10
SCHEMBL19986085 0.86 AHR (0.38) TDP1L3MBTL1MAOAAHRHSD17B10
SCHEMBL19986023 0.86 ALDH1A1 (0.32) L3MBTL1SIRT2SIRT1HSD17B10ALDH1A1
SCHEMBL19986021 0.85 TDP1 (0.32) TDP1L3MBTL1CYP1A2FYNAHR
SCHEMBL17427572 0.85 RAB9A (0.36) TDP1L3MBTL1CYP1A2CYP2C9CYP2C19

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