SCHEMBL19985907

SCHEMBL19985907

c1ccc2c(c1)cc(-c1ccc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)cc1)c1ccccc12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP11B1 P15538 1/20 0.32
ALOX5 P09917 1/20 0.31
TP53 P04637 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
SCHEMBL19985914 0.89 MAPT (0.34) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19985924 0.89 PDPK1 (0.32)
SCHEMBL19985913 0.89 CA12 (0.34) ALOX5TP53
SCHEMBL19985906 0.88 TP53 (0.30) TP53
SCHEMBL19985939 0.86 PMM2 (0.34) TP53
SCHEMBL19985912 0.86 HPRT1 (0.33) ALDH1A1HIF1AHSD17B10TP53
SCHEMBL19985919 0.86 L3MBTL1 (0.37) ALDH1A1HSD17B10L3MBTL1TP53
SCHEMBL19985970 0.86 L3MBTL1 (0.37) ALDH1A1HSD17B10L3MBTL1TP53
SCHEMBL19986181 0.85 ALOX5 (0.44) ALOX5TP53
SCHEMBL19985988 0.85 ALOX5 (0.34) ALOX5TP53

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