SCHEMBL19986032

SCHEMBL19986032

c1ccc2c(c1)ccc1cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDPK1 O15530 11/20 0.34
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
CYP1A1 P04798 2/20 0.32
CYP1B1 Q16678 2/20 0.32
HPRT1 P00492 2/20 0.31
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
CA9 Q16790 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
SCHEMBL19986029 0.94 TDP1 (0.33) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL19986035 0.93 PIK3CD (0.33) TDP1L3MBTL1CYP1A1CYP1B1CYP1A2
SCHEMBL19986055 0.92 TDP1 (0.34) TDP1L3MBTL1PDPK1SIRT2SIRT1
SCHEMBL19986044 0.91 TDP1 (0.38) TDP1L3MBTL1SIRT2SIRT1CYP1B1
SCHEMBL19986056 0.90 PLA2G2A (0.33) L3MBTL1
SCHEMBL19986023 0.89 ALDH1A1 (0.32) L3MBTL1SIRT2SIRT1
SCHEMBL19986077 0.88 NPC1 (0.35) AHR
SCHEMBL19986047 0.88 TDP1 (0.36) TDP1L3MBTL1SIRT2SIRT1CYP1B1
SCHEMBL19986020 0.86 PLA2G2A (0.38) L3MBTL1
SCHEMBL19986007 0.86 KDM4E (0.37) L3MBTL1CA9

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