SCHEMBL19986023

SCHEMBL19986023

c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)cc1)c1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP11B1 P15538 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
BRCA1 P38398 1/20 0.31
KMT2A Q03164 1/20 0.31
CDC14B O60729 2/20 0.30
CDC14A Q9UNH5 2/20 0.30
KDM4E B2RXH2 1/20 0.30
HTT P42858 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 0.89 TDP1 (0.35) L3MBTL1SIRT2SIRT1
SCHEMBL19986031 0.89 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL19986019 0.89 ENPP3 (0.33) ALDH1A1HSD17B10HPGDL3MBTL1ALOX5
SCHEMBL19986029 0.88 TDP1 (0.33) ALDH1A1TSHRHSD17B10L3MBTL1SIRT2
SCHEMBL19986035 0.86 PIK3CD (0.33) ALDH1A1TSHRHSD17B10L3MBTL1MEN1
SCHEMBL19986090 0.86 ALOX5 (0.34) ALDH1A1L3MBTL1ALOX5CDC14BCDC14A
SCHEMBL19986044 0.86 TDP1 (0.38) ALDH1A1TSHRHSD17B10HPGDHIF1A
SCHEMBL19986042 0.86 KDM4E (0.37) ALDH1A1TSHRHSD17B10L3MBTL1MEN1
SCHEMBL19986007 0.86 KDM4E (0.37) ALDH1A1TSHRHSD17B10L3MBTL1MEN1
SCHEMBL19986067 0.85 ALOX5 (0.44) ALDH1A1ALOX5CDC14BCDC14AKDM4E

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